N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide

C12H9FN2O3 — CID 114038955

IUPACN-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1c[nH]ccc1=O
InChIInChI=1S/C12H9FN2O3/c13-9-5-7(1-2-11(9)17)15-12(18)8-6-14-4-3-10(8)16/h1-6,17H,(H,14,16)(H,15,18)
InChIKeySVUAUEDHDFDJII-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.47
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114038955) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114038955
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1c[nH]ccc1=O
InChIInChI=1S/C12H9FN2O3/c13-9-5-7(1-2-11(9)17)15-12(18)8-6-14-4-3-10(8)16/h1-6,17H,(H,14,16)(H,15,18)
InChIKeySVUAUEDHDFDJII-UHFFFAOYSA-N
XLogP1.47
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 23633098
N-(2-fluoro-4-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336940
N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336735
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
4-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 81233431
N-(3-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64781251
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
N-(3-fluoro-4-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696188

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 114038955) is N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(O)c(F)c1)c1c[nH]ccc1=O.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SVUAUEDHDFDJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-9-5-7(1-2-11(9)17)15-12(18)8-6-14-4-3-10(8)16/h1-6,17H,(H,14,16)(H,15,18).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114038955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).