2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

C17H14ClN3 — CID 82343208

IUPAC2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2nc3cc(Cl)ccn3c2CC#N)cc1C
InChIInChI=1S/C17H14ClN3/c1-11-3-4-13(9-12(11)2)17-15(5-7-19)21-8-6-14(18)10-16(21)20-17/h3-4,6,8-10H,5H2,1-2H3
InChIKeyNGVYNJHIGXOTNV-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.34
Rot. Bonds2

About 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 82343208) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID82343208
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc(-c2nc3cc(Cl)ccn3c2CC#N)cc1C
InChIInChI=1S/C17H14ClN3/c1-11-3-4-13(9-12(11)2)17-15(5-7-19)21-8-6-14(18)10-16(21)20-17/h3-4,6,8-10H,5H2,1-2H3
InChIKeyNGVYNJHIGXOTNV-UHFFFAOYSA-N
XLogP4.34
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 82343242
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82060231
2-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127665
2-(7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82529975
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127548
2-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127619
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866284
2-(6-chloro-8-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 82531110
2-[6-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134102
7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343141

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 82343208) is 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is Cc1ccc(-c2nc3cc(Cl)ccn3c2CC#N)cc1C.
What is the InChIKey of 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is NGVYNJHIGXOTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-11-3-4-13(9-12(11)2)17-15(5-7-19)21-8-6-14(18)10-16(21)20-17/h3-4,6,8-10H,5H2,1-2H3.
What are the key properties of 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 295.77 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82343208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).