Research chemical
CAS Number: 1093676-96-0
![1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one molecular structure, CAS 1093676-96-0](/structure-images/1093676-96-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
58217088
Exact Mass
275.98983
InChIKey
JAVRMKOYVOCTLE-UHFFFAOYSA-N
SMILES String
CCC#CC(=O)c1c[nH]c2ncc(Br)cc12
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
16
H-bond acceptors
3
H-bond donors
1
Rotatable bonds
1
Ring count
2
Aromatic rings
2
Topological polar surface area
45.75 Ų
Computed LogP
2.92
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one (CAS 1093676-96-0) is maintained as a cataloged research chemical with formula C12H9BrN2O, molecular weight 277. 12 g/mol, PubChem CID 58217088.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pent-2-yn-1-one is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
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.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.