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

C13H14BrF3N2O — CID 103754162

IUPAC2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccnc(Br)c1
InChIInChI=1S/C13H14BrF3N2O/c14-11-7-8(5-6-18-11)12(20)19-10-4-2-1-3-9(10)13(15,16)17/h5-7,9-10H,1-4H2,(H,19,20)
InChIKeyAQDSQXARHFMMLS-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.69
Rot. Bonds2

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

2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide (PubChem CID 103754162) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
PubChem CID103754162
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccnc(Br)c1
InChIInChI=1S/C13H14BrF3N2O/c14-11-7-8(5-6-18-11)12(20)19-10-4-2-1-3-9(10)13(15,16)17/h5-7,9-10H,1-4H2,(H,19,20)
InChIKeyAQDSQXARHFMMLS-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

4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
2-bromo-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 103755142
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
6-methyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 52501616
4-amino-3-fluoro-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 63188254
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103874213
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
4-(cyclopropanecarbonylamino)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534252
N-[(1R,2R)-2-carbamoylcyclopentyl]-2-fluoropyridine-4-carboxamide
CID 97084906

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide (CID 103754162) is 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide is O=C(NC1CCCCC1C(F)(F)F)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is AQDSQXARHFMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-11-7-8(5-6-18-11)12(20)19-10-4-2-1-3-9(10)13(15,16)17/h5-7,9-10H,1-4H2,(H,19,20).
What are the key properties of 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide?
2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-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 2-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 103754162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).