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

C13H14BrF3N2O — CID 103874213

IUPAC6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cccc(Br)n1
InChIInChI=1S/C13H14BrF3N2O/c14-11-7-3-6-10(18-11)12(20)19-9-5-2-1-4-8(9)13(15,16)17/h3,6-9H,1-2,4-5H2,(H,19,20)
InChIKeyWKJSCVCYSXMPHN-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.69
Rot. Bonds2

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

6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide (PubChem CID 103874213) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
PubChem CID103874213
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1cccc(Br)n1
InChIInChI=1S/C13H14BrF3N2O/c14-11-7-3-6-10(18-11)12(20)19-9-5-2-1-4-8(9)13(15,16)17/h3,6-9H,1-2,4-5H2,(H,19,20)
InChIKeyWKJSCVCYSXMPHN-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 53.69
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-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
6-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-2-carboxamide
CID 103889979
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 103754162
6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103916993
N-[2-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 60722498
2-iodo-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 60722477
5-(2-fluorophenyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 55639151
1-(2-aminoethyl)-N-[2-(trifluoromethyl)cyclohexyl]imidazole-4-carboxamide
CID 107496671
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
CID 115497960
6-bromo-N-[3-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
CID 162527967
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide (CID 103874213) is 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is WKJSCVCYSXMPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-11-7-3-6-10(18-11)12(20)19-9-5-2-1-4-8(9)13(15,16)17/h3,6-9H,1-2,4-5H2,(H,19,20).
What are the key properties of 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide has a molecular weight of 351.17 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 103874213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).