Research chemical
Diethyl 2-(6-methoxy-3-nitropyridin-2-yl)malonate
CAS Number: 1000342-55-1
Product details
Identity & specification
- Molecular formula
- C13H16N2O7
- Molecular weight
- 312.27 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
19776294
Exact Mass
312.095751
InChIKey
GJPXADGXQCGPKU-UHFFFAOYSA-N
IUPAC Name
diethyl 2-(6-methoxy-3-nitro-2-pyridinyl)propanedioate
SMILES String
CCOC(=O)C(C(=O)OCC)c1nc(OC)ccc1[N+](=O)[O-]
Physical Properties
No physical property values available.
Show more physical data
XLogP
1.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
22
H-bond acceptors
9
H-bond donors
0
Rotatable bonds
7
Ring count
1
Aromatic rings
1
Topological polar surface area
117.86 Ų
Computed LogP
1.21
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
Diethyl 2-(6-methoxy-3-nitropyridin-2-yl)malonate (CAS 1000342-55-1) is listed in the Advanced Chemicals portfolio, with molecular formula C13H16N2O7 and molecular weight 312. 27 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Consult the supplier SDS before handling; For research use only.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Catalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 1000342-55-1 in stock?
Diethyl 2-(6-methoxy-3-nitropyridin-2-yl)malonate is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Can MolGraph provide COA or SDS for CAS 1000342-55-1?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.