3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide

C13H11FN2O2 — CID 64950888

IUPAC3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c14-11-7-15-6-5-10(11)13(18)16-12-4-2-1-3-9(12)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyIVMUBFJSSPPNFV-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.97
Rot. Bonds3

About 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide

3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide (PubChem CID 64950888) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
PubChem CID64950888
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccncc1F
InChIInChI=1S/C13H11FN2O2/c14-11-7-15-6-5-10(11)13(18)16-12-4-2-1-3-9(12)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyIVMUBFJSSPPNFV-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 115645903
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 115645633
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
CID 113356364

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide (CID 64950888) is 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccccc1CO)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is IVMUBFJSSPPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-7-15-6-5-10(11)13(18)16-12-4-2-1-3-9(12)8-17/h1-7,17H,8H2,(H,16,18).
What are the key properties of 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 64950888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).