2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile

C8H6N4O — CID 83415021

IUPAC2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile
SMILESN#CCn1c(=O)[nH]c2cccnc21
InChIInChI=1S/C8H6N4O/c9-3-5-12-7-6(11-8(12)13)2-1-4-10-7/h1-2,4H,5H2,(H,11,13)
InChIKeyZHACBQSTMWGKAN-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.25
Rot. Bonds1

About 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile

2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile (PubChem CID 83415021) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile
PubChem CID83415021
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile
SMILESN#CCn1c(=O)[nH]c2cccnc21
InChIInChI=1S/C8H6N4O/c9-3-5-12-7-6(11-8(12)13)2-1-4-10-7/h1-2,4H,5H2,(H,11,13)
InChIKeyZHACBQSTMWGKAN-UHFFFAOYSA-N
XLogP0.25
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-ethyl-1H-imidazo[4,5-b]pyridin-2-one
CID 91018221
3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 134794147
3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 121199602
3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 121199603
3-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridin-2-one;molecular hydrogen
CID 142993059
3-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 151573633
4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 50742664
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetonitrile
CID 126457146
3-(cyanomethyl)imidazo[4,5-b]pyridine-2-carbonitrile
CID 83433381
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-imidazo[4,5-b]pyridin-2-one
CID 152721306
2-(2,3-dioxo-4H-quinoxalin-1-yl)acetonitrile
CID 19827841
2-(2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
CID 79289461

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile?
The IUPAC name of 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile (CID 83415021) is 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile?
The canonical SMILES for 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile is N#CCn1c(=O)[nH]c2cccnc21.
What is the InChIKey of 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile?
The InChIKey is ZHACBQSTMWGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c9-3-5-12-7-6(11-8(12)13)2-1-4-10-7/h1-2,4H,5H2,(H,11,13).
What are the key properties of 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile?
2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile has a molecular weight of 174.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile is sourced from PubChem (CID 83415021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).