Research chemical
3-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CAS Number: 1000340-52-2
![3-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile molecular structure, CAS 1000340-52-2](/structure-images/1000340-52-2.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C8H4N4O2
- Molecular weight
- 188.14 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
24729580
Exact Mass
188.033425
InChIKey
AWYHBXNFPVDIEC-UHFFFAOYSA-N
SMILES String
N#Cc1ccnc2[nH]cc([N+](=O)[O-])c12
Physical Properties
No physical property values available.
Show more physical data
XLogP
0.9
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
14
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
1
Ring count
2
Aromatic rings
2
Topological polar surface area
95.61 Ų
Computed LogP
1.34
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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
3-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (CAS 1000340-52-2) is listed in the Advanced Chemicals portfolio, with molecular formula C8H4N4O2 and molecular weight 188. 14 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 questions
What are the key identifiers for 3-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (CAS 1000340-52-2)?
3-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is identified by CAS 1000340-52-2, with molecular formula C8H4N4O2, molecular weight 188.14, InChIKey AWYHBXNFPVDIEC-UHFFFAOYSA-N.
Can I request a COA for CAS 1000340-52-2?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 3-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1000340-52-2 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.