6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide

C13H11FN2O2 — CID 134424150

IUPAC6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C(O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2O2/c14-9-6-4-8(5-7-9)12(17)10-2-1-3-11(16-10)13(15)18/h1-7,12,17H,(H2,15,18)
InChIKeyOTIHCXRLYQUNBR-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.40
Rot. Bonds3

About 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide

6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide (PubChem CID 134424150) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide
PubChem CID134424150
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(C(O)c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2O2/c14-9-6-4-8(5-7-9)12(17)10-2-1-3-11(16-10)13(15)18/h1-7,12,17H,(H2,15,18)
InChIKeyOTIHCXRLYQUNBR-UHFFFAOYSA-N
XLogP1.40
TPSA76.21 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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide (CID 134424150) is 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide is NC(=O)c1cccc(C(O)c2ccc(F)cc2)n1.
What is the InChIKey of 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide?
The InChIKey is OTIHCXRLYQUNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-9-6-4-8(5-7-9)12(17)10-2-1-3-11(16-10)13(15)18/h1-7,12,17H,(H2,15,18).
What are the key properties of 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide?
6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide has a molecular weight of 246.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)-hydroxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 134424150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).