N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide

C14H10ClF3N2O — CID 110863795

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c1-8-10(3-2-6-19-8)13(21)20-12-5-4-9(15)7-11(12)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyYXTVGNDUISWLIQ-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.31
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 110863795) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
PubChem CID110863795
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c1-8-10(3-2-6-19-8)13(21)20-12-5-4-9(15)7-11(12)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyYXTVGNDUISWLIQ-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 60790795
N-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17172977
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692014
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
CID 110705369
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 38698880
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide (CID 110863795) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is YXTVGNDUISWLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c1-8-10(3-2-6-19-8)13(21)20-12-5-4-9(15)7-11(12)14(16,17)18/h2-7H,1H3,(H,20,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 314.69 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 110863795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).