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

C13H14ClF3N2O — CID 62233843

IUPAC6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cccc(Cl)n1
InChIInChI=1S/C13H14ClF3N2O/c14-11-3-1-2-10(19-11)12(20)18-9-6-4-8(5-7-9)13(15,16)17/h1-3,8-9H,4-7H2,(H,18,20)
InChIKeyGCOVBHCTABTXJI-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.59
Rot. Bonds2

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

6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide (PubChem CID 62233843) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.71 g/mol. Its IUPAC name is 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
PubChem CID62233843
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.71 g/mol
Exact Mass306.07
IUPAC Name6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)c1cccc(Cl)n1
InChIInChI=1S/C13H14ClF3N2O/c14-11-3-1-2-10(19-11)12(20)18-9-6-4-8(5-7-9)13(15,16)17/h1-3,8-9H,4-7H2,(H,18,20)
InChIKeyGCOVBHCTABTXJI-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.59
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

6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62232953
ethyl 4-[(6-chloropyridine-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 62235259
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-chloro-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 62233324
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide (CID 62233843) is 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is GCOVBHCTABTXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-11-3-1-2-10(19-11)12(20)18-9-6-4-8(5-7-9)13(15,16)17/h1-3,8-9H,4-7H2,(H,18,20).
What are the key properties of 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 62233843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).