1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

C21H26BrNO — CID 135009224

IUPAC1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)(c2cccc(Br)n2)C1
InChIInChI=1S/C21H26BrNO/c1-15-12-13-17(20(2,3)16-8-5-4-6-9-16)21(24,14-15)18-10-7-11-19(22)23-18/h4-11,15,17,24H,12-14H2,1-3H3
InChIKeyKPZDRSWYYWHNFG-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.45
Rot. Bonds3

About 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol

1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (PubChem CID 135009224) has the molecular formula C21H26BrNO and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
PubChem CID135009224
Molecular FormulaC21H26BrNO
Molecular Weight388.35 g/mol
Exact Mass387.12
IUPAC Name1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)(c2cccc(Br)n2)C1
InChIInChI=1S/C21H26BrNO/c1-15-12-13-17(20(2,3)16-8-5-4-6-9-16)21(24,14-15)18-10-7-11-19(22)23-18/h4-11,15,17,24H,12-14H2,1-3H3
InChIKeyKPZDRSWYYWHNFG-UHFFFAOYSA-N
XLogP5.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.45
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

2-(6-Bromopyridin-2-yl)propan-2-ol
CID 22714301
2-(6-Bromo-pyridin-2-yl)-1-phenyl-propan-2-ol
CID 11673721
(6-Bromopyridin-2-YL)(phenyl)methanol
CID 21600771
(1S,2S,5R)-1-(6-bromo-2-pyridinyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 100993923
1,3,3-Trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009825
[6-Bromo-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-methanol
CID 60209333
(6-Bromopyridin-2-yl)(4-fluorophenyl)methanol
CID 86602988
2-[6-(4-Fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
CID 122501515
1-(3,6-Dibromo-2-pyridinyl)-2-(3-fluoro-5-methylphenyl)ethanol
CID 169992869
2-[6-[(Z)-1-bromopent-2-en-2-yl]-3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]propan-2-ol
CID 170611754
3-[2-[(6-Bromo-2-pyridinyl)-hydroxymethyl]-5-fluorophenyl]propan-1-ol
CID 175531853
3-[2-[(6-Bromo-2-pyridinyl)-hydroxymethyl]-5-(trifluoromethyl)phenyl]propan-1-ol
CID 175531883

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol (CID 135009224) is 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is CC1CCC(C(C)(C)c2ccccc2)C(O)(c2cccc(Br)n2)C1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
The InChIKey is KPZDRSWYYWHNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO/c1-15-12-13-17(20(2,3)16-8-5-4-6-9-16)21(24,14-15)18-10-7-11-19(22)23-18/h4-11,15,17,24H,12-14H2,1-3H3.
What are the key properties of 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol?
1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol has a molecular weight of 388.35 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 135009224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).