2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol

C14H14BrNO — CID 113454601

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-4-12(5-3-10)14(17)7-11-6-13(15)9-16-8-11/h2-6,8-9,14,17H,7H2,1H3
InChIKeyRFUHRTUOCUHQHM-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.43
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol (PubChem CID 113454601) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
PubChem CID113454601
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H14BrNO/c1-10-2-4-12(5-3-10)14(17)7-11-6-13(15)9-16-8-11/h2-6,8-9,14,17H,7H2,1H3
InChIKeyRFUHRTUOCUHQHM-UHFFFAOYSA-N
XLogP3.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
CID 104799991
2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
CID 115833386
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
2-(5-bromo-3-pyridinyl)-1-(5-ethylfuran-2-yl)ethanol
CID 104801936
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide
CID 161130883
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol (CID 113454601) is 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)Cc2cncc(Br)c2)cc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol?
The InChIKey is RFUHRTUOCUHQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-2-4-12(5-3-10)14(17)7-11-6-13(15)9-16-8-11/h2-6,8-9,14,17H,7H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol has a molecular weight of 292.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 113454601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).