6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide

C13H10F2N2O — CID 115496743

IUPAC6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(F)n1
InChIInChI=1S/C13H10F2N2O/c14-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(15)17-11/h1-7H,8H2,(H,16,18)
InChIKeyUJIXITPWDHZUPJ-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.29
Rot. Bonds3

About 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide

6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 115496743) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID115496743
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(F)n1
InChIInChI=1S/C13H10F2N2O/c14-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(15)17-11/h1-7H,8H2,(H,16,18)
InChIKeyUJIXITPWDHZUPJ-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323547
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
6-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097871
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
4-N-[(3-fluorophenyl)methyl]-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide;hydrochloride
CID 157090160
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 115497663

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide (CID 115496743) is 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1cccc(F)c1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is UJIXITPWDHZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-10-4-1-3-9(7-10)8-16-13(18)11-5-2-6-12(15)17-11/h1-7H,8H2,(H,16,18).
What are the key properties of 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide?
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 248.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 115496743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).