4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid

C13H8F2N2O4 — CID 63851155

IUPAC4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(F)c(F)cc1C(=O)O)c1cncc(O)c1
InChIInChI=1S/C13H8F2N2O4/c14-9-2-8(13(20)21)11(3-10(9)15)17-12(19)6-1-7(18)5-16-4-6/h1-5,18H,(H,17,19)(H,20,21)
InChIKeyGFZRBUNSEBRTLX-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.02
Rot. Bonds3

About 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid

4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid (PubChem CID 63851155) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
PubChem CID63851155
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(F)c(F)cc1C(=O)O)c1cncc(O)c1
InChIInChI=1S/C13H8F2N2O4/c14-9-2-8(13(20)21)11(3-10(9)15)17-12(19)6-1-7(18)5-16-4-6/h1-5,18H,(H,17,19)(H,20,21)
InChIKeyGFZRBUNSEBRTLX-UHFFFAOYSA-N
XLogP2.02
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
CID 107792618
N-(2,5-difluoro-4-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 103586314
N-(3,4-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864937
N-(2,5-difluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864589
4,5-difluoro-2-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 55129854
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
N-(2-bromo-4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 55257449
N-(4-chloro-3-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63864787
4,5-difluoro-2-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510522
2-[(5-chloropyrazine-2-carbonyl)amino]-4,5-difluorobenzoic acid
CID 107371511
2-[2-[(5-hydroxypyridine-3-carbonyl)amino]phenyl]acetic acid
CID 63849973
2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 104785687

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid (CID 63851155) is 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1cc(F)c(F)cc1C(=O)O)c1cncc(O)c1.
What is the InChIKey of 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is GFZRBUNSEBRTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-9-2-8(13(20)21)11(3-10(9)15)17-12(19)6-1-7(18)5-16-4-6/h1-5,18H,(H,17,19)(H,20,21).
What are the key properties of 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid?
4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 294.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63851155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).