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

C13H11FN2O2 — CID 64950294

IUPAC3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c1-8-11(3-2-4-12(8)17)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)
InChIKeyMEXVEBGQURWYQI-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.49
Rot. Bonds2

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

3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 64950294) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide
PubChem CID64950294
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c1-8-11(3-2-4-12(8)17)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)
InChIKeyMEXVEBGQURWYQI-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide (CID 64950294) is 3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide is Cc1c(O)cccc1NC(=O)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is MEXVEBGQURWYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-8-11(3-2-4-12(8)17)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-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide?
3-fluoro-N-(3-hydroxy-2-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-(3-hydroxy-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 64950294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).