3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile

C9H6BrN3O — CID 130065101

IUPAC3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1cc2ncc(Br)n2cc1C#N
InChIInChI=1S/C9H6BrN3O/c1-14-7-2-9-12-4-8(10)13(9)5-6(7)3-11/h2,4-5H,1H3
InChIKeyGDDNOFCVBBVQGB-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.98
Rot. Bonds1

About 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile

3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 130065101) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID130065101
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1cc2ncc(Br)n2cc1C#N
InChIInChI=1S/C9H6BrN3O/c1-14-7-2-9-12-4-8(10)13(9)5-6(7)3-11/h2,4-5H,1H3
InChIKeyGDDNOFCVBBVQGB-UHFFFAOYSA-N
XLogP1.98
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 158513969
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192
6-tert-butyl-4-methoxypyridine-3-carbonitrile
CID 82403915
2-bromo-5-methoxy-4-methylbenzonitrile
CID 117324664
2-amino-5-bromo-3-methoxybenzonitrile
CID 10846901
5-[(4-bromopyrazol-1-yl)methyl]-2-methoxybenzonitrile
CID 65339635
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214
5-(hydroxymethyl)-4-iodo-2-methoxybenzonitrile
CID 131285021
5-(aminomethyl)-4-bromo-2-methoxybenzonitrile
CID 171014235
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile (CID 130065101) is 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile is COc1cc2ncc(Br)n2cc1C#N.
What is the InChIKey of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is GDDNOFCVBBVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c1-14-7-2-9-12-4-8(10)13(9)5-6(7)3-11/h2,4-5H,1H3.
What are the key properties of 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile?
3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 252.07 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxyimidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 130065101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).