5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide

C13H7FN4O3 — CID 107856982

IUPAC5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2c(F)cccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H7FN4O3/c14-9-2-1-3-11(18(20)21)12(9)17-13(19)10-5-4-8(6-15)7-16-10/h1-5,7H,(H,17,19)
InChIKeyNZPOHBGNYWLJDP-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.25
Rot. Bonds3

About 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide

5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide (PubChem CID 107856982) has the molecular formula C13H7FN4O3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide
PubChem CID107856982
Molecular FormulaC13H7FN4O3
Molecular Weight286.22 g/mol
Exact Mass286.05
IUPAC Name5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2c(F)cccc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H7FN4O3/c14-9-2-1-3-11(18(20)21)12(9)17-13(19)10-5-4-8(6-15)7-16-10/h1-5,7H,(H,17,19)
InChIKeyNZPOHBGNYWLJDP-UHFFFAOYSA-N
XLogP2.25
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide
CID 71919813
N-(2-fluoro-6-nitrophenyl)-2H-triazole-4-carboxamide
CID 81311368
5-fluoro-N-(2-hydroxy-6-nitrophenyl)pyridine-2-carboxamide
CID 107681305
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
CID 63723338
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705
N-(3-bromo-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 113245238
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 81311222
N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-bromo-N-(2-fluoro-6-nitrophenyl)thiophene-2-carboxamide
CID 81311760
5-cyano-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 63719298
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide (CID 107856982) is 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2c(F)cccc2[N+](=O)[O-])nc1.
What is the InChIKey of 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is NZPOHBGNYWLJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O3/c14-9-2-1-3-11(18(20)21)12(9)17-13(19)10-5-4-8(6-15)7-16-10/h1-5,7H,(H,17,19).
What are the key properties of 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide?
5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 286.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-fluoro-6-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107856982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).