5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide

C15H15BrF6N2O3 — CID 86634806

IUPAC5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C15H15BrF6N2O3/c16-8-5-7(12(26)23-9-3-1-2-4-10(9)25)11(15(20,21)22)24-13(8)27-6-14(17,18)19/h5,9-10,25H,1-4,6H2,(H,23,26)/t9-,10+/m0/s1
InChIKeyVTTUEZODUPOLJR-VHSXEESVSA-N
MW465.19 g/mol
LogP3.84
Rot. Bonds4

About 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide

5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86634806) has the molecular formula C15H15BrF6N2O3 and a molecular weight of 465.19 g/mol. Its IUPAC name is 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86634806
Molecular FormulaC15H15BrF6N2O3
Molecular Weight465.19 g/mol
Exact Mass464.02
IUPAC Name5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCCC[C@H]1O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C15H15BrF6N2O3/c16-8-5-7(12(26)23-9-3-1-2-4-10(9)25)11(15(20,21)22)24-13(8)27-6-14(17,18)19/h5,9-10,25H,1-4,6H2,(H,23,26)/t9-,10+/m0/s1
InChIKeyVTTUEZODUPOLJR-VHSXEESVSA-N
XLogP3.84
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.19
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;5-(3,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 162017411
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
CID 135309339
5-bromo-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 94415434
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
4-bromo-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441265
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 86634806) is 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(N[C@H]1CCCC[C@H]1O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VTTUEZODUPOLJR-VHSXEESVSA-N. The full InChI is InChI=1S/C15H15BrF6N2O3/c16-8-5-7(12(26)23-9-3-1-2-4-10(9)25)11(15(20,21)22)24-13(8)27-6-14(17,18)19/h5,9-10,25H,1-4,6H2,(H,23,26)/t9-,10+/m0/s1.
What are the key properties of 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide?
5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 465.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86634806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).