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

C13H7ClFN3O — CID 43580727

IUPAC4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H7ClFN3O/c14-8-4-5-17-12(6-8)13(19)18-11-3-1-2-10(15)9(11)7-16/h1-6H,(H,18,19)
InChIKeyLMZXLKIGJNFFPW-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.00
Rot. Bonds2

About 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide

4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide (PubChem CID 43580727) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
PubChem CID43580727
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC Name4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1c(F)cccc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C13H7ClFN3O/c14-8-4-5-17-12(6-8)13(19)18-11-3-1-2-10(15)9(11)7-16/h1-6H,(H,18,19)
InChIKeyLMZXLKIGJNFFPW-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

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Related Compounds

4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 60793561
6-[(2-cyano-3-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43580818
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103826905
N-(2-cyano-3-fluorophenyl)quinoxaline-2-carboxamide
CID 95763379

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide (CID 43580727) is 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide is N#Cc1c(F)cccc1NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is LMZXLKIGJNFFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-8-4-5-17-12(6-8)13(19)18-11-3-1-2-10(15)9(11)7-16/h1-6H,(H,18,19).
What are the key properties of 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide?
4-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 4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 43580727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).