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

C13H11FN2O2 — CID 61294571

IUPAC2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccnc(F)c1
InChIInChI=1S/C13H11FN2O2/c14-12-7-9(5-6-15-12)13(18)16-11-4-2-1-3-10(11)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyPCSUAEXSHGIXFS-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.97
Rot. Bonds3

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

2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide (PubChem CID 61294571) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
PubChem CID61294571
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1CO)c1ccnc(F)c1
InChIInChI=1S/C13H11FN2O2/c14-12-7-9(5-6-15-12)13(18)16-11-4-2-1-3-10(11)8-17/h1-7,17H,8H2,(H,16,18)
InChIKeyPCSUAEXSHGIXFS-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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294713
N-[2-(2-amino-2-oxoethyl)phenyl]-2-fluoropyridine-4-carboxamide
CID 61295295
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
2,4,6-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 65100177
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 61295104
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide (CID 61294571) is 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccccc1CO)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is PCSUAEXSHGIXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-12-7-9(5-6-15-12)13(18)16-11-4-2-1-3-10(11)8-17/h1-7,17H,8H2,(H,16,18).
What are the key properties of 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide?
2-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 2-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 61294571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).