2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide

C12H9FN2O3 — CID 75447606

IUPAC2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1O)c1ccc(O)cc1F
InChIInChI=1S/C12H9FN2O3/c13-9-5-7(16)1-2-8(9)12(18)15-10-3-4-14-6-11(10)17/h1-6,16-17H,(H,14,15,18)
InChIKeyOZHJBKJBABNSAY-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.88
Rot. Bonds2

About 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide

2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide (PubChem CID 75447606) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide
PubChem CID75447606
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide
SMILESO=C(Nc1ccncc1O)c1ccc(O)cc1F
InChIInChI=1S/C12H9FN2O3/c13-9-5-7(16)1-2-8(9)12(18)15-10-3-4-14-6-11(10)17/h1-6,16-17H,(H,14,15,18)
InChIKeyOZHJBKJBABNSAY-UHFFFAOYSA-N
XLogP1.88
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
N-(2,4-difluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941207
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
N-(3-amino-4-pyridinyl)-2-chloro-5-hydroxybenzamide
CID 106500113
2-fluoro-4-hydroxy-N-(5-methyl-3-pyridinyl)benzamide
CID 107676884
2-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 107674901
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
4-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 107674896
N-(5-bromo-2,4-difluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 102854033
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide (CID 75447606) is 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide is O=C(Nc1ccncc1O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide?
The InChIKey is OZHJBKJBABNSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-5-7(16)1-2-8(9)12(18)15-10-3-4-14-6-11(10)17/h1-6,16-17H,(H,14,15,18).
What are the key properties of 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide?
2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide has a molecular weight of 248.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(3-hydroxy-4-pyridinyl)benzamide is sourced from PubChem (CID 75447606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).