2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide

C13H14ClF3N2O — CID 156885986

IUPAC2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O/c14-11-7-8(6-10(19-11)13(15,16)17)12(20)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,18,20)
InChIKeyDDNAHJKVLFCKHO-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.82
Rot. Bonds2

About 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide

2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 156885986) 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-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID156885986
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C13H14ClF3N2O/c14-11-7-8(6-10(19-11)13(15,16)17)12(20)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,18,20)
InChIKeyDDNAHJKVLFCKHO-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'}

Analyze 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide (CID 156885986) is 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide is O=C(NC1CCCCC1)c1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is DDNAHJKVLFCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-11-7-8(6-10(19-11)13(15,16)17)12(20)18-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,18,20).
What are the key properties of 2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-carboxamide?
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 156885986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).