5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile

C15H10ClN3O — CID 82342890

IUPAC5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1cccc(-c2nc3cccc(Cl)n3c2C#N)c1
InChIInChI=1S/C15H10ClN3O/c1-20-11-5-2-4-10(8-11)15-12(9-17)19-13(16)6-3-7-14(19)18-15/h2-8H,1H3
InChIKeyBZXFMWFTKUQQOA-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile

5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82342890) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82342890
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCOc1cccc(-c2nc3cccc(Cl)n3c2C#N)c1
InChIInChI=1S/C15H10ClN3O/c1-20-11-5-2-4-10(8-11)15-12(9-17)19-13(16)6-3-7-14(19)18-15/h2-8H,1H3
InChIKeyBZXFMWFTKUQQOA-UHFFFAOYSA-N
XLogP3.53
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82342872
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
5-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117142201
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567167
3-(3-methoxyphenyl)benzonitrile
CID 4189594
1-chloro-2-(3-methoxyphenyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 86598233
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060343

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 82342890) is 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile is COc1cccc(-c2nc3cccc(Cl)n3c2C#N)c1.
What is the InChIKey of 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is BZXFMWFTKUQQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c1-20-11-5-2-4-10(8-11)15-12(9-17)19-13(16)6-3-7-14(19)18-15/h2-8H,1H3.
What are the key properties of 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile?
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82342890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).