6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide

C13H14BrF3N2O — CID 103875087

IUPAC6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cccc(Br)n1
InChIInChI=1S/C13H14BrF3N2O/c14-11-6-2-5-10(19-11)12(20)18-9-4-1-3-8(7-9)13(15,16)17/h2,5-6,8-9H,1,3-4,7H2,(H,18,20)
InChIKeyKLMOWPBYTCZGQA-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.69
Rot. Bonds2

About 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide

6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide (PubChem CID 103875087) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
PubChem CID103875087
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cccc(Br)n1
InChIInChI=1S/C13H14BrF3N2O/c14-11-6-2-5-10(19-11)12(20)18-9-4-1-3-8(7-9)13(15,16)17/h2,5-6,8-9H,1,3-4,7H2,(H,18,20)
InChIKeyKLMOWPBYTCZGQA-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-(dimethylamino)cyclohexyl]pyridine-2-carboxamide
CID 162527967
6-bromo-N-[2-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103874213
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N-[3-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 113226189
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
6-bromo-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2-carboxamide
CID 103916993
5-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 124702553
5-amino-2-bromo-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 115297157
6-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 62233843
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide (CID 103875087) is 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
The InChIKey is KLMOWPBYTCZGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-11-6-2-5-10(19-11)12(20)18-9-4-1-3-8(7-9)13(15,16)17/h2,5-6,8-9H,1,3-4,7H2,(H,18,20).
What are the key properties of 6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide?
6-bromo-N-[3-(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-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 103875087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).