6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide

C13H11FN2O2 — CID 114009640

IUPAC6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(F)nc1)c1cccc(O)c1
InChIInChI=1S/C13H11FN2O2/c1-16(10-3-2-4-11(17)7-10)13(18)9-5-6-12(14)15-8-9/h2-8,17H,1H3
InChIKeyMAWMBRCKLQPIBQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.20
Rot. Bonds2

About 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide

6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide (PubChem CID 114009640) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
PubChem CID114009640
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(F)nc1)c1cccc(O)c1
InChIInChI=1S/C13H11FN2O2/c1-16(10-3-2-4-11(17)7-10)13(18)9-5-6-12(14)15-8-9/h2-8,17H,1H3
InChIKeyMAWMBRCKLQPIBQ-UHFFFAOYSA-N
XLogP2.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
CID 63979948
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
N-(3-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 107736061
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
3,4-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735623
5-carbamothioyl-N-(3-hydroxyphenyl)-N-methylpyridine-2-carboxamide
CID 107735324
4-hydroxy-N-(3-hydroxyphenyl)-N,3-dimethylbenzamide
CID 107735629
N-(3-hydroxyphenyl)-N,2-dimethylpyridine-4-carboxamide
CID 107735739
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-6-carboxamide
CID 107735897
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide (CID 114009640) is 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1ccc(F)nc1)c1cccc(O)c1.
What is the InChIKey of 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is MAWMBRCKLQPIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-16(10-3-2-4-11(17)7-10)13(18)9-5-6-12(14)15-8-9/h2-8,17H,1H3.
What are the key properties of 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide?
6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-hydroxyphenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 114009640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).