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

C13H11FN2O2 — CID 14510257

IUPACN-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(CO)c1)c1ccccn1
InChIInChI=1S/C13H11FN2O2/c14-11-5-4-10(7-9(11)8-17)16-13(18)12-3-1-2-6-15-12/h1-7,17H,8H2,(H,16,18)
InChIKeyUOMPCUWIEHEBPP-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.97
Rot. Bonds3

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

N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide (PubChem CID 14510257) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
PubChem CID14510257
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(CO)c1)c1ccccn1
InChIInChI=1S/C13H11FN2O2/c14-11-5-4-10(7-9(11)8-17)16-13(18)12-3-1-2-6-15-12/h1-7,17H,8H2,(H,16,18)
InChIKeyUOMPCUWIEHEBPP-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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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide (CID 14510257) is N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(F)c(CO)c1)c1ccccn1.
What is the InChIKey of N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is UOMPCUWIEHEBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-5-4-10(7-9(11)8-17)16-13(18)12-3-1-2-6-15-12/h1-7,17H,8H2,(H,16,18).
What are the key properties of N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide?
N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-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 N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 14510257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).