N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide

C13H12FN2O2+ — CID 142152228

IUPACN-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)c[n+]1O
InChIInChI=1S/C13H11FN2O2/c1-9-2-3-10(8-16(9)18)13(17)15-12-6-4-11(14)5-7-12/h2-8H,1H3,(H-,15,17,18)/p+1
InChIKeyVURIGDBRWKUZCO-UHFFFAOYSA-O
MW247.25 g/mol
LogP1.91
Rot. Bonds2

About N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide

N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide (PubChem CID 142152228) has the molecular formula C13H12FN2O2+ and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide
PubChem CID142152228
Molecular FormulaC13H12FN2O2+
Molecular Weight247.25 g/mol
Exact Mass247.09
IUPAC NameN-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2)c[n+]1O
InChIInChI=1S/C13H11FN2O2/c1-9-2-3-10(8-16(9)18)13(17)15-12-6-4-11(14)5-7-12/h2-8H,1H3,(H-,15,17,18)/p+1
InChIKeyVURIGDBRWKUZCO-UHFFFAOYSA-O
XLogP1.91
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-cyclopentylsulfonyl-N-(4-fluorophenyl)-1-hydroxypyridin-1-ium-3-carboxamide
CID 70908562
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CID 109049917
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
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1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
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N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
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CID 2315903

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide (CID 142152228) is N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(F)cc2)c[n+]1O.
What is the InChIKey of N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide?
The InChIKey is VURIGDBRWKUZCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11FN2O2/c1-9-2-3-10(8-16(9)18)13(17)15-12-6-4-11(14)5-7-12/h2-8H,1H3,(H-,15,17,18)/p+1.
What are the key properties of N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide?
N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-hydroxy-6-methylpyridin-1-ium-3-carboxamide is sourced from PubChem (CID 142152228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).