2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol

C12H16Br2N2O — CID 102635970

IUPAC2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(Br)cc1Br)C1CCCCC1O
InChIInChI=1S/C12H16Br2N2O/c1-16(10-4-2-3-5-11(10)17)12-9(14)6-8(13)7-15-12/h6-7,10-11,17H,2-5H2,1H3
InChIKeyGJFCOFIJXJICNT-UHFFFAOYSA-N
MW364.08 g/mol
LogP3.35
Rot. Bonds2

About 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol

2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol (PubChem CID 102635970) has the molecular formula C12H16Br2N2O and a molecular weight of 364.08 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
PubChem CID102635970
Molecular FormulaC12H16Br2N2O
Molecular Weight364.08 g/mol
Exact Mass361.96
IUPAC Name2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ncc(Br)cc1Br)C1CCCCC1O
InChIInChI=1S/C12H16Br2N2O/c1-16(10-4-2-3-5-11(10)17)12-9(14)6-8(13)7-15-12/h6-7,10-11,17H,2-5H2,1H3
InChIKeyGJFCOFIJXJICNT-UHFFFAOYSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-methylamino]cyclohexan-1-ol
CID 106796748
2-[(7-bromo-1,5-naphthyridin-4-yl)-methylamino]cyclohexan-1-ol
CID 102635969
3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 79535351
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
CID 102637773
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640220
5-bromo-3-(ethylaminomethyl)-N-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 62289350
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
6-[(2-hydroxycyclohexyl)-methylamino]-5-nitropyridine-3-carboxylic acid
CID 102632500
2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
3-bromo-N-cyclohexyl-N,5-dimethylpyridin-2-amine
CID 105367626
5-bromo-2-N-cyclopentyl-2-N-methylpyridine-2,3-diamine
CID 61228674

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol (CID 102635970) is 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol is CN(c1ncc(Br)cc1Br)C1CCCCC1O.
What is the InChIKey of 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol?
The InChIKey is GJFCOFIJXJICNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O/c1-16(10-4-2-3-5-11(10)17)12-9(14)6-8(13)7-15-12/h6-7,10-11,17H,2-5H2,1H3.
What are the key properties of 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol?
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol has a molecular weight of 364.08 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102635970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).