1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol

C13H18BrNO — CID 104801440

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C13H18BrNO/c1-10-4-6-13(16,7-5-10)8-12-3-2-11(14)9-15-12/h2-3,9-10,16H,4-8H2,1H3
InChIKeyXYJDFMCUWQZRBY-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.33
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol

1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 104801440) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
PubChem CID104801440
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C13H18BrNO/c1-10-4-6-13(16,7-5-10)8-12-3-2-11(14)9-15-12/h2-3,9-10,16H,4-8H2,1H3
InChIKeyXYJDFMCUWQZRBY-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-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

1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 79740612
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
CID 60798328
4-[(5-bromo-2-pyridinyl)methyl]oxepan-4-ol
CID 104802124
1-[(5-ethyl-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 79745461
3-[(5-bromo-2-pyridinyl)methyl]-3-methylcyclopentan-1-ol
CID 116539892
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
1-[(5-bromo-2-pyridinyl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663812
1-[[(5-bromopyrimidin-2-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118365
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 104801675
4-tert-butyl-1-[(5-ethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 79740383

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol (CID 104801440) is 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(Cc2ccc(Br)cn2)CC1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is XYJDFMCUWQZRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-4-6-13(16,7-5-10)8-12-3-2-11(14)9-15-12/h2-3,9-10,16H,4-8H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol?
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 104801440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).