4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid

C14H9FN2O2 — CID 107957590

IUPAC4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc3nccn23)c1
InChIInChI=1S/C14H9FN2O2/c15-11-5-4-9(14(18)19)8-10(11)12-2-1-3-13-16-6-7-17(12)13/h1-8H,(H,18,19)
InChIKeyFUHCERRBOXXGON-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.84
Rot. Bonds2

About 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid

4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid (PubChem CID 107957590) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid
PubChem CID107957590
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid
SMILESO=C(O)c1ccc(F)c(-c2cccc3nccn23)c1
InChIInChI=1S/C14H9FN2O2/c15-11-5-4-9(14(18)19)8-10(11)12-2-1-3-13-16-6-7-17(12)13/h1-8H,(H,18,19)
InChIKeyFUHCERRBOXXGON-UHFFFAOYSA-N
XLogP2.84
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazo[1,2-a]pyridin-5-yl-5-methylbenzoic acid
CID 102626289
3-imidazo[1,2-a]pyridin-5-ylbenzamide
CID 46948491
2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid
CID 102625220
2-imidazo[1,2-a]pyridin-5-ylaniline
CID 102626302
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
N-[(3-fluoro-4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-1-amine
CID 102626421
3-(2-bromophenyl)-4-fluorobenzoic acid
CID 107957461
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
N-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-5-carboxamide
CID 110863637
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid?
The IUPAC name of 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid (CID 107957590) is 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid.
What is the SMILES notation for 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid?
The canonical SMILES for 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid is O=C(O)c1ccc(F)c(-c2cccc3nccn23)c1.
What is the InChIKey of 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid?
The InChIKey is FUHCERRBOXXGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-5-4-9(14(18)19)8-10(11)12-2-1-3-13-16-6-7-17(12)13/h1-8H,(H,18,19).
What are the key properties of 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid?
4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid has a molecular weight of 256.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid is sourced from PubChem (CID 107957590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).