4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide

C14H9ClFN3O — CID 60793561

IUPAC4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H9ClFN3O/c1-8-11(16)4-9(7-17)5-12(8)19-14(20)13-6-10(15)2-3-18-13/h2-6H,1H3,(H,19,20)
InChIKeyMWICTQIEDTVEEJ-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide

4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 60793561) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID60793561
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H9ClFN3O/c1-8-11(16)4-9(7-17)5-12(8)19-14(20)13-6-10(15)2-3-18-13/h2-6H,1H3,(H,19,20)
InChIKeyMWICTQIEDTVEEJ-UHFFFAOYSA-N
XLogP3.31
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
4-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 43580727
6-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 103889775
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340906
N-(5-cyano-3-fluoro-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259196
2-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81008344
3-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-4-methylbenzamide
CID 79489943
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide (CID 60793561) is 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide is Cc1c(F)cc(C#N)cc1NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is MWICTQIEDTVEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c1-8-11(16)4-9(7-17)5-12(8)19-14(20)13-6-10(15)2-3-18-13/h2-6H,1H3,(H,19,20).
What are the key properties of 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide?
4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 289.70 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 60793561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).