6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide

C13H7ClFN3O — CID 62232716

IUPAC6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H7ClFN3O/c14-12-6-2-5-11(17-12)13(19)18-10-4-1-3-9(15)8(10)7-16/h1-6H,(H,18,19)
InChIKeyHBCLYFFTFGNUSU-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.00
Rot. Bonds2

About 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide

6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide (PubChem CID 62232716) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
PubChem CID62232716
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H7ClFN3O/c14-12-6-2-5-11(17-12)13(19)18-10-4-1-3-9(15)8(10)7-16/h1-6H,(H,18,19)
InChIKeyHBCLYFFTFGNUSU-UHFFFAOYSA-N
XLogP3.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.00
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

N-(2-cyano-3-fluorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62240838
6-amino-N-(2-cyano-3-fluorophenyl)pyridazine-3-carboxamide
CID 62155166
4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 43580727
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(2-cyano-3-fluorophenyl)quinoxaline-2-carboxamide
CID 95763379
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235962
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
1-(2-chlorophenyl)-3-(2-cyano-3-fluorophenyl)urea
CID 43580526
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide (CID 62232716) is 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide is N#Cc1c(F)cccc1NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is HBCLYFFTFGNUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-12-6-2-5-11(17-12)13(19)18-10-4-1-3-9(15)8(10)7-16/h1-6H,(H,18,19).
What are the key properties of 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 275.67 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62232716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).