3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid

C20H12ClFN2O2 — CID 155537779

IUPAC3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F
InChIInChI=1S/C20H12ClFN2O2/c21-14-7-4-12(5-8-14)17-11-24-10-13(6-9-18(24)23-17)15-2-1-3-16(19(15)22)20(25)26/h1-11H,(H,25,26)
InChIKeyXGXVQEKTEDUAAB-UHFFFAOYSA-N
MW366.78 g/mol
LogP5.16
Rot. Bonds3

About 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid (PubChem CID 155537779) has the molecular formula C20H12ClFN2O2 and a molecular weight of 366.78 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid
PubChem CID155537779
Molecular FormulaC20H12ClFN2O2
Molecular Weight366.78 g/mol
Exact Mass366.06
IUPAC Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid
SMILESO=C(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F
InChIInChI=1S/C20H12ClFN2O2/c21-14-7-4-12(5-8-14)17-11-24-10-13(6-9-18(24)23-17)15-2-1-3-16(19(15)22)20(25)26/h1-11H,(H,25,26)
InChIKeyXGXVQEKTEDUAAB-UHFFFAOYSA-N
XLogP5.16
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.78
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 67264843
2-(4-chlorophenyl)-6-[2-(methoxymethyl)phenyl]imidazo[1,2-a]pyridine;hydrochloride
CID 67046269
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
[2-fluoro-6-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
CID 67265509
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
[3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride
CID 67046272
6-chloro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 78910138
[2,6-difluoro-3-(2-thiophen-3-ylimidazo[1,2-a]pyridin-6-yl)phenyl]methanol
CID 68640908
2-(4-chlorophenyl)-5-fluoroimidazo[1,2-a]pyridine
CID 155255024
2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridine;hydrobromide
CID 67123039
6-chloro-2-(3,5-difluorophenyl)imidazo[1,2-a]pyridine
CID 113303202

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid?
The IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid (CID 155537779) is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid.
What is the SMILES notation for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid?
The canonical SMILES for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid is O=C(O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F.
What is the InChIKey of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid?
The InChIKey is XGXVQEKTEDUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2O2/c21-14-7-4-12(5-8-14)17-11-24-10-13(6-9-18(24)23-17)15-2-1-3-16(19(15)22)20(25)26/h1-11H,(H,25,26).
What are the key properties of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid?
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid has a molecular weight of 366.78 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-fluorobenzoic acid is sourced from PubChem (CID 155537779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).