N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide

C13H9F3N2O — CID 113323547

IUPACN-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cccc(F)n1
InChIInChI=1S/C13H9F3N2O/c14-9-5-4-8(6-10(9)15)7-17-13(19)11-2-1-3-12(16)18-11/h1-6H,7H2,(H,17,19)
InChIKeyKKOGXPFJKYBWLM-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.43
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide (PubChem CID 113323547) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
PubChem CID113323547
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cccc(F)n1
InChIInChI=1S/C13H9F3N2O/c14-9-5-4-8(6-10(9)15)7-17-13(19)11-2-1-3-12(16)18-11/h1-6H,7H2,(H,17,19)
InChIKeyKKOGXPFJKYBWLM-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
N-[(2,5-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 113323609
N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 115497663
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
6-N-(3,4-difluorophenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097568
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62533307
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide (CID 113323547) is N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cccc(F)n1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is KKOGXPFJKYBWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-9-5-4-8(6-10(9)15)7-17-13(19)11-2-1-3-12(16)18-11/h1-6H,7H2,(H,17,19).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 266.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 113323547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).