2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

C16H12ClN3O — CID 82529459

IUPAC2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccccc1-c1nc2c(Cl)cccn2c1CC#N
InChIInChI=1S/C16H12ClN3O/c1-21-14-7-3-2-5-11(14)15-13(8-9-18)20-10-4-6-12(17)16(20)19-15/h2-7,10H,8H2,1H3
InChIKeyHJZDFPTYLFTXPN-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.73
Rot. Bonds3

About 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 82529459) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID82529459
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCOc1ccccc1-c1nc2c(Cl)cccn2c1CC#N
InChIInChI=1S/C16H12ClN3O/c1-21-14-7-3-2-5-11(14)15-13(8-9-18)20-10-4-6-12(17)16(20)19-15/h2-7,10H,8H2,1H3
InChIKeyHJZDFPTYLFTXPN-UHFFFAOYSA-N
XLogP3.73
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[8-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82529532
3-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 39195746
ethyl 2-[8-chloro-3-(cyanomethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 82529282
2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062463
8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 117137670
2-(3-chloro-2-fluorophenyl)-8-methoxyimidazo[1,2-a]pyridin-3-amine
CID 114488854
(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82529517
[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199536
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127548
8-chloro-2-[2-(methoxymethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 103094947
2-[2-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127534
2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851

Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 82529459) is 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is COc1ccccc1-c1nc2c(Cl)cccn2c1CC#N.
What is the InChIKey of 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is HJZDFPTYLFTXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-21-14-7-3-2-5-11(14)15-13(8-9-18)20-10-4-6-12(17)16(20)19-15/h2-7,10H,8H2,1H3.
What are the key properties of 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 297.75 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82529459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).