N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide

C13H7F2N3O — CID 113323580

IUPACN-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccc(F)n2)ccc1F
InChIInChI=1S/C13H7F2N3O/c14-10-5-4-9(6-8(10)7-16)17-13(19)11-2-1-3-12(15)18-11/h1-6H,(H,17,19)
InChIKeyOQHRDNYXSPYDNE-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.48
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide

N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 113323580) has the molecular formula C13H7F2N3O and a molecular weight of 259.22 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
PubChem CID113323580
Molecular FormulaC13H7F2N3O
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC NameN-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccc(F)n2)ccc1F
InChIInChI=1S/C13H7F2N3O/c14-10-5-4-9(6-8(10)7-16)17-13(19)11-2-1-3-12(15)18-11/h1-6H,(H,17,19)
InChIKeyOQHRDNYXSPYDNE-UHFFFAOYSA-N
XLogP2.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 115497606
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561
N-(3-cyano-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 62315667
5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
CID 107375402
N-(4-carbamoylphenyl)-6-fluoropyridine-2-carboxamide
CID 115496681
6-fluoro-N-[4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 115497027
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]benzoate
CID 115496994
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide (CID 113323580) is N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide is N#Cc1cc(NC(=O)c2cccc(F)n2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is OQHRDNYXSPYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O/c14-10-5-4-9(6-8(10)7-16)17-13(19)11-2-1-3-12(15)18-11/h1-6H,(H,17,19).
What are the key properties of N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide?
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 259.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 113323580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).