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

C13H8F2N2O4 — CID 81439837

IUPAC4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccncc1O
InChIInChI=1S/C13H8F2N2O4/c14-8-3-7(13(20)21)10(4-9(8)15)17-12(19)6-1-2-16-5-11(6)18/h1-5,18H,(H,17,19)(H,20,21)
InChIKeyOJVQYROZYVKZDN-UHFFFAOYSA-N
MW294.21 g/mol
LogP2.02
Rot. Bonds3

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

4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (PubChem CID 81439837) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
PubChem CID81439837
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccncc1O
InChIInChI=1S/C13H8F2N2O4/c14-8-3-7(13(20)21)10(4-9(8)15)17-12(19)6-1-2-16-5-11(6)18/h1-5,18H,(H,17,19)(H,20,21)
InChIKeyOJVQYROZYVKZDN-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

5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
N-(3,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442995
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
CID 81445870
N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 102854033
3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445608
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 81445783
N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
4,5-difluoro-2-[(5-hydroxypyridine-3-carbonyl)amino]benzoic acid
CID 63851155
N-(4-fluoro-3-methoxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 114840031
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (CID 81439837) is 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is O=C(Nc1cc(F)c(F)cc1C(=O)O)c1ccncc1O.
What is the InChIKey of 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is OJVQYROZYVKZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-8-3-7(13(20)21)10(4-9(8)15)17-12(19)6-1-2-16-5-11(6)18/h1-5,18H,(H,17,19)(H,20,21).
What are the key properties of 4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
4,5-difluoro-2-[(3-hydroxypyridine-4-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-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81439837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).