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

C13H7ClFN3O — CID 43580726

IUPAC2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H7ClFN3O/c14-12-8(3-2-6-17-12)13(19)18-11-5-1-4-10(15)9(11)7-16/h1-6H,(H,18,19)
InChIKeyKVQKRTWLLNALAS-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.00
Rot. Bonds2

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

2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 43580726) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
PubChem CID43580726
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H7ClFN3O/c14-12-8(3-2-6-17-12)13(19)18-11-5-1-4-10(15)9(11)7-16/h1-6H,(H,18,19)
InChIKeyKVQKRTWLLNALAS-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

2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 43580727
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
N-(2-cyano-3-fluorophenyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660264
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
CID 43580325
N-(2-cyano-3-fluorophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071575
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
N-(2-cyano-3-fluorophenyl)quinoxaline-2-carboxamide
CID 95763379
N-(2-cyano-3-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235962
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide (CID 43580726) is 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide is N#Cc1c(F)cccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is KVQKRTWLLNALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-12-8(3-2-6-17-12)13(19)18-11-5-1-4-10(15)9(11)7-16/h1-6H,(H,18,19).
What are the key properties of 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide?
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-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 2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 43580726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).