2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol

C15H15Br2NO — CID 104813182

IUPAC2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
SMILESOCC(Cc1cccc(Br)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C15H15Br2NO/c16-13-3-1-2-11(7-13)6-12(10-19)8-15-5-4-14(17)9-18-15/h1-5,7,9,12,19H,6,8,10H2
InChIKeyJUXRYWDAXABIEA-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.00
Rot. Bonds5

About 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol

2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol (PubChem CID 104813182) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
PubChem CID104813182
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol
SMILESOCC(Cc1cccc(Br)c1)Cc1ccc(Br)cn1
InChIInChI=1S/C15H15Br2NO/c16-13-3-1-2-11(7-13)6-12(10-19)8-15-5-4-14(17)9-18-15/h1-5,7,9,12,19H,6,8,10H2
InChIKeyJUXRYWDAXABIEA-UHFFFAOYSA-N
XLogP4.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)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

2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
2-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 66057828
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 104810370
2-[(3-bromophenyl)methyl]-3-(3,4-dichlorophenyl)propan-1-ol
CID 66059500
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 104810501
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
2-[(3-bromophenyl)methyl]-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 66058873
2-[(3-bromophenyl)methyl]-4-ethoxybutan-1-ol
CID 66058870
2-[(3-bromophenyl)methyl]-5,5-dimethylhexan-1-ol
CID 66060363
1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]-N-methylmethanamine
CID 115622448

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol (CID 104813182) is 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol is OCC(Cc1cccc(Br)c1)Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol?
The InChIKey is JUXRYWDAXABIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c16-13-3-1-2-11(7-13)6-12(10-19)8-15-5-4-14(17)9-18-15/h1-5,7,9,12,19H,6,8,10H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol?
2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol has a molecular weight of 385.10 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(5-bromo-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 104813182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).