4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid

C15H10FN3O3 — CID 172761884

IUPAC4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C15H10FN3O3/c16-9-4-5-10(15(21)22)11(7-9)18-14(20)12-8-19-6-2-1-3-13(19)17-12/h1-8H,(H,18,20)(H,21,22)
InChIKeyLUJDFCQUGVIRPY-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.42
Rot. Bonds3

About 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid

4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid (PubChem CID 172761884) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid
PubChem CID172761884
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C15H10FN3O3/c16-9-4-5-10(15(21)22)11(7-9)18-14(20)12-8-19-6-2-1-3-13(19)17-12/h1-8H,(H,18,20)(H,21,22)
InChIKeyLUJDFCQUGVIRPY-UHFFFAOYSA-N
XLogP2.42
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394
6-(imidazo[1,2-a]pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 61319611
imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 159608487
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28741909
N-(3-acetylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 18079676
3-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 119099857
N-[(3-chloro-4-fluorophenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53167047
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid?
The IUPAC name of 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid (CID 172761884) is 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid is O=C(Nc1cc(F)ccc1C(=O)O)c1cn2ccccc2n1.
What is the InChIKey of 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid?
The InChIKey is LUJDFCQUGVIRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-9-4-5-10(15(21)22)11(7-9)18-14(20)12-8-19-6-2-1-3-13(19)17-12/h1-8H,(H,18,20)(H,21,22).
What are the key properties of 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid?
4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid has a molecular weight of 299.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid is sourced from PubChem (CID 172761884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).