N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide

C13H7ClFN3O — CID 63719479

IUPACN-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C13H7ClFN3O/c14-10-5-9(15)2-4-11(10)18-13(19)12-3-1-8(6-16)7-17-12/h1-5,7H,(H,18,19)
InChIKeyYJHSTSFXSQQSFM-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.00
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide

N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide (PubChem CID 63719479) has the molecular formula C13H7ClFN3O and a molecular weight of 275.67 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
PubChem CID63719479
Molecular FormulaC13H7ClFN3O
Molecular Weight275.67 g/mol
Exact Mass275.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C13H7ClFN3O/c14-10-5-9(15)2-4-11(10)18-13(19)12-3-1-8(6-16)7-17-12/h1-5,7H,(H,18,19)
InChIKeyYJHSTSFXSQQSFM-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

N-(2-amino-4-fluorophenyl)-5-cyanopyridine-2-carboxamide
CID 55230967
5-cyano-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 55229412
5-chloro-N-(2-chloro-4-cyanophenyl)pyridine-2-carboxamide
CID 103811024
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(2-chloro-4-fluorophenyl)-2-(4-cyanophenoxy)acetamide
CID 7771641
5-cyano-N-(2,4,5-trimethylphenyl)pyridine-2-carboxamide
CID 115116632
N-(2-amino-5-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63722654
5-cyano-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 63724379
N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
CID 103799816
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
CID 41485117
N-(4-chlorophenyl)-5-cyanopyridine-2-carboxamide
CID 63716705

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide (CID 63719479) is N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)nc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is YJHSTSFXSQQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O/c14-10-5-9(15)2-4-11(10)18-13(19)12-3-1-8(6-16)7-17-12/h1-5,7H,(H,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide?
N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-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 N-(2-chloro-4-fluorophenyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 63719479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).