2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile

C16H12N4O3 — CID 93203563

IUPAC2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1cccc(-c2nc3ccc([N+](=O)[O-])cn3c2CC#N)c1
InChIInChI=1S/C16H12N4O3/c1-23-13-4-2-3-11(9-13)16-14(7-8-17)19-10-12(20(21)22)5-6-15(19)18-16/h2-6,9-10H,7H2,1H3
InChIKeyNEJOFEBEFUELRK-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 93203563) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID93203563
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1cccc(-c2nc3ccc([N+](=O)[O-])cn3c2CC#N)c1
InChIInChI=1S/C16H12N4O3/c1-23-13-4-2-3-11(9-13)16-14(7-8-17)19-10-12(20(21)22)5-6-15(19)18-16/h2-6,9-10H,7H2,1H3
InChIKeyNEJOFEBEFUELRK-UHFFFAOYSA-N
XLogP2.98
TPSA93.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile 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

2-(6-nitro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82055161
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203589
3-(hydroxymethyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46224342
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
[2-(3-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46224159
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
6-(3-chlorophenyl)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 91635551
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 55248194
1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016683
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 93203563) is 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile is COc1cccc(-c2nc3ccc([N+](=O)[O-])cn3c2CC#N)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is NEJOFEBEFUELRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c1-23-13-4-2-3-11(9-13)16-14(7-8-17)19-10-12(20(21)22)5-6-15(19)18-16/h2-6,9-10H,7H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 308.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 93203563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).