2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide

C14H11Br2N3O — CID 162335938

IUPAC2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
SMILESBr.O=C(CBr)c1ccc(-n2cnc3cccnc32)cc1
InChIInChI=1S/C14H10BrN3O.BrH/c15-8-13(19)10-3-5-11(6-4-10)18-9-17-12-2-1-7-16-14(12)18;/h1-7,9H,8H2;1H
InChIKeyZBXVUNUBKKOSOY-UHFFFAOYSA-N
MW397.07 g/mol
LogP3.58
Rot. Bonds3

About 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide

2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide (PubChem CID 162335938) has the molecular formula C14H11Br2N3O and a molecular weight of 397.07 g/mol. Its IUPAC name is 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
PubChem CID162335938
Molecular FormulaC14H11Br2N3O
Molecular Weight397.07 g/mol
Exact Mass394.93
IUPAC Name2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
SMILESBr.O=C(CBr)c1ccc(-n2cnc3cccnc32)cc1
InChIInChI=1S/C14H10BrN3O.BrH/c15-8-13(19)10-3-5-11(6-4-10)18-9-17-12-2-1-7-16-14(12)18;/h1-7,9H,8H2;1H
InChIKeyZBXVUNUBKKOSOY-UHFFFAOYSA-N
XLogP3.58
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277196
4-imidazo[4,5-b]pyridin-3-yl-N-(2-methylcyclohexyl)benzamide
CID 20916012
N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 20916026
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
CID 82512850
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline
CID 82512905
5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
CID 82512845
N-[(4-ethylphenyl)methyl]-3-(4-imidazo[4,5-b]pyridin-3-ylphenyl)propanamide
CID 20916234
3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 141330064
4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid
CID 82513914
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 46277244
2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide?
The IUPAC name of 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide (CID 162335938) is 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide is Br.O=C(CBr)c1ccc(-n2cnc3cccnc32)cc1.
What is the InChIKey of 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide?
The InChIKey is ZBXVUNUBKKOSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O.BrH/c15-8-13(19)10-3-5-11(6-4-10)18-9-17-12-2-1-7-16-14(12)18;/h1-7,9H,8H2;1H.
What are the key properties of 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide?
2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide has a molecular weight of 397.07 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide is sourced from PubChem (CID 162335938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).