6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C17H14ClFN2O2 — CID 159553520

IUPAC6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1ccc(Cl)c(CCc2ccc3nccn3c2C(=O)O)c1F
InChIInChI=1S/C17H14ClFN2O2/c1-10-2-6-13(18)12(15(10)19)5-3-11-4-7-14-20-8-9-21(14)16(11)17(22)23/h2,4,6-9H,3,5H2,1H3,(H,22,23)
InChIKeyYJRSMBHTTQSEHI-UHFFFAOYSA-N
MW332.76 g/mol
LogP3.92
Rot. Bonds4

About 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid

6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 159553520) has the molecular formula C17H14ClFN2O2 and a molecular weight of 332.76 g/mol. Its IUPAC name is 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID159553520
Molecular FormulaC17H14ClFN2O2
Molecular Weight332.76 g/mol
Exact Mass332.07
IUPAC Name6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCc1ccc(Cl)c(CCc2ccc3nccn3c2C(=O)O)c1F
InChIInChI=1S/C17H14ClFN2O2/c1-10-2-6-13(18)12(15(10)19)5-3-11-4-7-14-20-8-9-21(14)16(11)17(22)23/h2,4,6-9H,3,5H2,1H3,(H,22,23)
InChIKeyYJRSMBHTTQSEHI-UHFFFAOYSA-N
XLogP3.92
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid 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

Aminoimidazo[1,2-a]pyridine deriv. 36
CID 5330622
4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]cyclohex-3-ene-1-carboxylic acid
CID 117964960
4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
CID 117964962
4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
CID 117964978
4-(3-Chloro-5-imidazol-1-yl-2-pyridinyl)benzoic acid
CID 118978687
4-[3-(2-Chloro-6-fluorobenzoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
CID 122182701
Ethyl 6-chloro-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473605
Imidazo(1,2-a)pyridine-3-acetic acid, 2-(p-chlorophenyl)-
CID 87285
7-(4-Chlorophenyl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid
CID 1473716
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(pyridin-2-ylmethyl)prop-2-enoic acid
CID 10319356
3-[4-[[2-Butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyridine-2-carboxylic acid
CID 10453569
2-(6-Chloroimidazo[1,2-a]pyridin-2-yl)benzenecarboxylic acid
CID 16195721

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 159553520) is 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is Cc1ccc(Cl)c(CCc2ccc3nccn3c2C(=O)O)c1F.
What is the InChIKey of 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is YJRSMBHTTQSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2/c1-10-2-6-13(18)12(15(10)19)5-3-11-4-7-14-20-8-9-21(14)16(11)17(22)23/h2,4,6-9H,3,5H2,1H3,(H,22,23).
What are the key properties of 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 332.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 159553520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).