2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol

C13H16BrF3N2O — CID 106796748

IUPAC2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(Br)cc1C(F)(F)F)C1CCCCC1O
InChIInChI=1S/C13H16BrF3N2O/c1-19(10-4-2-3-5-11(10)20)12-9(13(15,16)17)6-8(14)7-18-12/h6-7,10-11,20H,2-5H2,1H3
InChIKeyBICYHAZSHOMWFT-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.60
Rot. Bonds2

About 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol (PubChem CID 106796748) has the molecular formula C13H16BrF3N2O and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
PubChem CID106796748
Molecular FormulaC13H16BrF3N2O
Molecular Weight353.18 g/mol
Exact Mass352.04
IUPAC Name2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(Br)cc1C(F)(F)F)C1CCCCC1O
InChIInChI=1S/C13H16BrF3N2O/c1-19(10-4-2-3-5-11(10)20)12-9(13(15,16)17)6-8(14)7-18-12/h6-7,10-11,20H,2-5H2,1H3
InChIKeyBICYHAZSHOMWFT-UHFFFAOYSA-N
XLogP3.60
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796576
1-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 106796746
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796664
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
CID 102635969
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62289350
5-bromo-2-N-cyclopentyl-2-N-methylpyridine-2,3-diamine
CID 61228674
5-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796659
5-bromo-N-cyclooctyl-3-(trifluoromethyl)pyridin-2-amine
CID 106795924
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640220
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid
CID 102632500

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol (CID 106796748) is 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol is CN(c1ncc(Br)cc1C(F)(F)F)C1CCCCC1O.
What is the InChIKey of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
The InChIKey is BICYHAZSHOMWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O/c1-19(10-4-2-3-5-11(10)20)12-9(13(15,16)17)6-8(14)7-18-12/h6-7,10-11,20H,2-5H2,1H3.
What are the key properties of 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol?
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol has a molecular weight of 353.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 106796748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).