N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide

C13H11FN2O2 — CID 45086782

IUPACN-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CO)cn1
InChIInChI=1S/C13H11FN2O2/c14-10-2-4-11(5-3-10)16-13(18)12-6-1-9(8-17)7-15-12/h1-7,17H,8H2,(H,16,18)
InChIKeyDOFFVBHGJLAYIJ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.97
Rot. Bonds3

About N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide

N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide (PubChem CID 45086782) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
PubChem CID45086782
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC NameN-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(CO)cn1
InChIInChI=1S/C13H11FN2O2/c14-10-2-4-11(5-3-10)16-13(18)12-6-1-9(8-17)7-15-12/h1-7,17H,8H2,(H,16,18)
InChIKeyDOFFVBHGJLAYIJ-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

5-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 171616756
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid
CID 104638373
5-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 104642279
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445
N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473
N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 106910526
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide (CID 45086782) is N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(CO)cn1.
What is the InChIKey of N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide?
The InChIKey is DOFFVBHGJLAYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-10-2-4-11(5-3-10)16-13(18)12-6-1-9(8-17)7-15-12/h1-7,17H,8H2,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide?
N-(4-fluorophenyl)-5-(hydroxymethyl)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-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide is sourced from PubChem (CID 45086782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).