2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide

C13H14ClF3N2O — CID 171367592

IUPAC2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H14ClF3N2O/c14-11-9(6-7-10(19-11)13(15,16)17)12(20)18-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,18,20)
InChIKeyZFRVABBMLFYVHZ-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.82
Rot. Bonds2

About 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide

2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 171367592) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID171367592
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H14ClF3N2O/c14-11-9(6-7-10(19-11)13(15,16)17)12(20)18-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,18,20)
InChIKeyZFRVABBMLFYVHZ-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
N-[4-(hydroxymethyl)cyclooctyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 162582023
N-[(4S)-azepan-4-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124938802
N-(4-hydroxycyclohexyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134004658
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2-chloro-N-(4-fluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154372250
2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876891
N-cyclohexyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60708032
N-cycloheptyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 47017222
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 171367592) is 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZFRVABBMLFYVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-11-9(6-7-10(19-11)13(15,16)17)12(20)18-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,18,20).
What are the key properties of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 306.72 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171367592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).