3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol

C15H16BrNO — CID 104813197

IUPAC3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)13(10-18)8-15-7-6-14(16)9-17-15/h2-7,9,13,18H,8,10H2,1H3
InChIKeyOKCZCUQBONKPRP-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.47
Rot. Bonds4

About 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol

3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol (PubChem CID 104813197) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
PubChem CID104813197
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)13(10-18)8-15-7-6-14(16)9-17-15/h2-7,9,13,18H,8,10H2,1H3
InChIKeyOKCZCUQBONKPRP-UHFFFAOYSA-N
XLogP3.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-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-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
CID 113455848
3-(5-bromo-2-pyridinyl)-2-(3-chlorophenyl)propan-1-ol
CID 113456079
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
4-(5-bromo-2-pyridinyl)-3-methylbutan-1-ol
CID 174649547
1-(5-bromo-2-pyridinyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 104801767
2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79436107
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583
3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
CID 104813220

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol (CID 104813197) is 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol is Cc1ccc(C(CO)Cc2ccc(Br)cn2)cc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol?
The InChIKey is OKCZCUQBONKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)13(10-18)8-15-7-6-14(16)9-17-15/h2-7,9,13,18H,8,10H2,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol?
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol has a molecular weight of 306.20 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 104813197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).