3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide

C13H11FN2O2 — CID 86783942

IUPAC3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(O)c1NC(=O)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)
InChIKeyPDGRBWXZTBUJKY-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.49
Rot. Bonds2

About 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide

3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide (PubChem CID 86783942) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
PubChem CID86783942
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
SMILESCc1cccc(O)c1NC(=O)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)
InChIKeyPDGRBWXZTBUJKY-UHFFFAOYSA-N
XLogP2.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acroteben
CID 5351737
N-[5-(butan-2-yl)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 2999843
5-bromo-N-(2-hydroxy-4-methylphenyl)nicotinamide
CID 753638
N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218550
N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218552
8-Hydroxy-6-(pyridin-3-yl)quinolin-2(1H)-one
CID 13728854
N-(2-hydroxy-5-phenylphenyl)pyridine-4-carboxamide
CID 44454623
N-(2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155534404
N-(2-hydroxy-5-isopropylphenyl)nicotinamide
CID 753642
8-Hydroxycinchoninamide;2,2,2-trifluoroacetic acid
CID 20493562
N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218548
8-hydroxy-5-pyridin-3-yl-1H-quinolin-2-one;hydrobromide
CID 13734443

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide (CID 86783942) is 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide is Cc1cccc(O)c1NC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide?
The InChIKey is PDGRBWXZTBUJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18).
What are the key properties of 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide?
3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 86783942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).