2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile

C15H11ClN4O — CID 82143724

IUPAC2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3cc(Cl)cnc3n2CC#N)cc1
InChIInChI=1S/C15H11ClN4O/c1-21-12-4-2-10(3-5-12)14-19-13-8-11(16)9-18-15(13)20(14)7-6-17/h2-5,8-9H,7H2,1H3
InChIKeyTZMIGQYNUSINMZ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.28
Rot. Bonds3

About 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile

2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile (PubChem CID 82143724) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile
PubChem CID82143724
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile
SMILESCOc1ccc(-c2nc3cc(Cl)cnc3n2CC#N)cc1
InChIInChI=1S/C15H11ClN4O/c1-21-12-4-2-10(3-5-12)14-19-13-8-11(16)9-18-15(13)20(14)7-6-17/h2-5,8-9H,7H2,1H3
InChIKeyTZMIGQYNUSINMZ-UHFFFAOYSA-N
XLogP3.28
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 82143696
2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 82143683
3-[6-chloro-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 82150963
3-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propanethioamide
CID 94757877
2-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 82143713
2-[6-chloro-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 93209820
2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
3-(3-aminopropyl)-7-chloro-2-(4-methoxyphenyl)quinazolin-4-one
CID 22484625
1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746856
2-[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]acetonitrile
CID 94748756
2-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157929
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile (CID 82143724) is 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile is COc1ccc(-c2nc3cc(Cl)cnc3n2CC#N)cc1.
What is the InChIKey of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile?
The InChIKey is TZMIGQYNUSINMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c1-21-12-4-2-10(3-5-12)14-19-13-8-11(16)9-18-15(13)20(14)7-6-17/h2-5,8-9H,7H2,1H3.
What are the key properties of 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile?
2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile has a molecular weight of 298.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82143724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).