1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone

Name: 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₀BrN₃O — CID 118663851

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone

SMILESCC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1

InChIInChI=1S/C14H10BrN3O/c1-9(19)12-3-2-4-14(17-12)18-13-7-11(15)6-5-10(13)8-16-18/h2-8H,1H3

InChIKeyBPFJOHKYNUSEPH-UHFFFAOYSA-N

MW316.16 g/mol

LogP3.39

Rot. Bonds2

About 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone

1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone (PubChem CID 118663851) has the molecular formula C₁₄H₁₀BrN₃O and a molecular weight of 316.16 g/mol. Its IUPAC name is 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name	1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone
PubChem CID	118663851
Molecular Formula	C₁₄H₁₀BrN₃O
Molecular Weight	316.16 g/mol
Exact Mass	315.00
IUPAC Name	1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone
SMILES	CC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1
InChI	InChI=1S/C14H10BrN3O/c1-9(19)12-3-2-4-14(17-12)18-13-7-11(15)6-5-10(13)8-16-18/h2-8H,1H3
InChIKey	BPFJOHKYNUSEPH-UHFFFAOYSA-N
XLogP	3.39
TPSA	47.78 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.16
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?

The IUPAC name of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone (CID 118663851) is 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone.

What is the SMILES notation for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?

The canonical SMILES for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone is CC(=O)c1cccc(-n2ncc3ccc(Br)cc32)n1.

What is the InChIKey of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?

The InChIKey is BPFJOHKYNUSEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-9(19)12-3-2-4-14(17-12)18-13-7-11(15)6-5-10(13)8-16-18/h2-8H,1H3.

What are the key properties of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone?

1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone has a molecular weight of 316.16 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 118663851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118663851 — identifiers, structure, computed properties (public domain)

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