2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol

C16H24BrNO — CID 104800225

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2cncc(Br)c2)CC1
InChIInChI=1S/C16H24BrNO/c1-11(2)13-3-5-14(6-4-13)16(19)8-12-7-15(17)10-18-9-12/h7,9-11,13-14,16,19H,3-6,8H2,1-2H3
InChIKeyVLPWMDFJQWWXIA-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.21
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol

2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol (PubChem CID 104800225) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
PubChem CID104800225
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2cncc(Br)c2)CC1
InChIInChI=1S/C16H24BrNO/c1-11(2)13-3-5-14(6-4-13)16(19)8-12-7-15(17)10-18-9-12/h7,9-11,13-14,16,19H,3-6,8H2,1-2H3
InChIKeyVLPWMDFJQWWXIA-UHFFFAOYSA-N
XLogP4.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol
CID 104802357
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
CID 104800252
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 104800243
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115833496
2-[(5-bromo-3-pyridinyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 104800079
2-[(5-bromo-3-pyridinyl)methyl]-3-methylbutan-1-ol
CID 104813158
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
[2-(5-bromo-3-pyridinyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210485
(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol (CID 104800225) is 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol is CC(C)C1CCC(C(O)Cc2cncc(Br)c2)CC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The InChIKey is VLPWMDFJQWWXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(2)13-3-5-14(6-4-13)16(19)8-12-7-15(17)10-18-9-12/h7,9-11,13-14,16,19H,3-6,8H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol has a molecular weight of 326.28 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol is sourced from PubChem (CID 104800225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).