2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid

C16H13ClN2O2 — CID 82225523

IUPAC2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccn2c(C(=O)O)c(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-19-14(8-10)18-13(15(19)16(20)21)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyPPSVGWCXWVTSRE-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.59
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid

2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 82225523) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID82225523
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccn2c(C(=O)O)c(Cc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H13ClN2O2/c1-10-6-7-19-14(8-10)18-13(15(19)16(20)21)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,20,21)
InChIKeyPPSVGWCXWVTSRE-UHFFFAOYSA-N
XLogP3.59
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223695
N-[(4-chlorophenyl)methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 53248894
1-[7-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82223155
1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 42694847
2-(4-chloro-3-methylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 93203858
N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90479982
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529905
(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 94964072
[2-[(4-methoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223247
N-[(4-chlorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681007
1-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 84670710
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82529903

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid (CID 82225523) is 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccn2c(C(=O)O)c(Cc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is PPSVGWCXWVTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-6-7-19-14(8-10)18-13(15(19)16(20)21)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 300.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 82225523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).