3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol

C12H14BrNO — CID 104812157

IUPAC3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2cncc(Br)c2)CCC1
InChIInChI=1S/C12H14BrNO/c13-11-5-10(7-14-8-11)4-9-2-1-3-12(15)6-9/h5-8,12,15H,1-4H2
InChIKeyMRDRSDICCUFUTO-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.86
Rot. Bonds2

About 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol

3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol (PubChem CID 104812157) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol
PubChem CID104812157
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol
SMILESOC1C=C(Cc2cncc(Br)c2)CCC1
InChIInChI=1S/C12H14BrNO/c13-11-5-10(7-14-8-11)4-9-2-1-3-12(15)6-9/h5-8,12,15H,1-4H2
InChIKeyMRDRSDICCUFUTO-UHFFFAOYSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-3-pyridinyl)methyl]cyclohept-2-en-1-ol
CID 107383492
3-[(3-bromo-5-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383511
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
CID 104797130
3-bromocyclohex-2-en-1-ol
CID 566108
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102848808
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
3-bromo-5-(piperidin-3-ylmethyl)pyridine
CID 104811408
2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
CID 115586347
7-[(5-bromo-3-pyridinyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 130956415
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol (CID 104812157) is 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol is OC1C=C(Cc2cncc(Br)c2)CCC1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol?
The InChIKey is MRDRSDICCUFUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-5-10(7-14-8-11)4-9-2-1-3-12(15)6-9/h5-8,12,15H,1-4H2.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol?
3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol has a molecular weight of 268.15 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 104812157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).