5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide

C13H11FN2O2 — CID 113256501

IUPAC5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1cncc(F)c1
InChIInChI=1S/C13H11FN2O2/c14-11-5-10(7-15-8-11)13(18)16-6-9-2-1-3-12(17)4-9/h1-5,7-8,17H,6H2,(H,16,18)
InChIKeyLWODRJHNUUIWGP-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.86
Rot. Bonds3

About 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide

5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 113256501) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID113256501
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1cncc(F)c1
InChIInChI=1S/C13H11FN2O2/c14-11-5-10(7-15-8-11)13(18)16-6-9-2-1-3-12(17)4-9/h1-5,7-8,17H,6H2,(H,16,18)
InChIKeyLWODRJHNUUIWGP-UHFFFAOYSA-N
XLogP1.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Acroteben
CID 5351737
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253
(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 6020915
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
CID 134475022
N-Nicotinoyl tyramine
CID 3043417
4-Hydroxybenzaldehyde nicotinoyl hydrazone
CID 135483803
N-[1-[8-(3-Amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-nicotinamide
CID 44368886
5-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N-methylpyridine-3-carboxamide
CID 44418538
5-[2-(4-Hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carboxamide
CID 44418540
5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide
CID 53239954
5-(4-Hydroxy-2,6-dimethylstyryl)nicotinamide
CID 53239975

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide (CID 113256501) is 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1cccc(O)c1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is LWODRJHNUUIWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-5-10(7-15-8-11)13(18)16-6-9-2-1-3-12(17)4-9/h1-5,7-8,17H,6H2,(H,16,18).
What are the key properties of 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide?
5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-hydroxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 113256501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).