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

C15H16BrNO — CID 104799991

IUPAC1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)7-15(18)8-13-6-14(16)10-17-9-13/h2-6,9-10,15,18H,7-8H2,1H3
InChIKeyAKKYZKJDZBRASM-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.30
Rot. Bonds4

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

1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol (PubChem CID 104799991) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
PubChem CID104799991
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)7-15(18)8-13-6-14(16)10-17-9-13/h2-6,9-10,15,18H,7-8H2,1H3
InChIKeyAKKYZKJDZBRASM-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
CID 104800043
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
CID 104802664
1-(5-bromo-3-pyridinyl)-4-(3-methylphenoxy)butan-2-ol
CID 105126440
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
1-(4-bromophenyl)-3-(2-chloro-4-methylphenyl)propan-2-ol
CID 106867244
2-[(4-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propanoic acid
CID 104800586
1-(5-bromo-3-pyridinyl)-4,6,6-trimethylheptan-2-ol
CID 115833444
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol (CID 104799991) is 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2cncc(Br)c2)cc1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol?
The InChIKey is AKKYZKJDZBRASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-2-4-12(5-3-11)7-15(18)8-13-6-14(16)10-17-9-13/h2-6,9-10,15,18H,7-8H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol?
1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol has a molecular weight of 306.20 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol is sourced from PubChem (CID 104799991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).