1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol

C14H14BrNO — CID 81488850

IUPAC1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
SMILESCc1ccc(C(O)Cc2ccccn2)cc1Br
InChIInChI=1S/C14H14BrNO/c1-10-5-6-11(8-13(10)15)14(17)9-12-4-2-3-7-16-12/h2-8,14,17H,9H2,1H3
InChIKeyWHECASBTBMCXFP-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol

1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol (PubChem CID 81488850) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
PubChem CID81488850
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
SMILESCc1ccc(C(O)Cc2ccccn2)cc1Br
InChIInChI=1S/C14H14BrNO/c1-10-5-6-11(8-13(10)15)14(17)9-12-4-2-3-7-16-12/h2-8,14,17H,9H2,1H3
InChIKeyWHECASBTBMCXFP-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-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739
1-(3-bromo-4-methylphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 105404697
1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115808069
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
1,2-dipyridin-2-ylethanol
CID 11458306
1-(4-cyclopropylphenyl)-2-pyridin-2-ylethanol
CID 79980417

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol (CID 81488850) is 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol is Cc1ccc(C(O)Cc2ccccn2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol?
The InChIKey is WHECASBTBMCXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-10-5-6-11(8-13(10)15)14(17)9-12-4-2-3-7-16-12/h2-8,14,17H,9H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol?
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol 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 1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol is sourced from PubChem (CID 81488850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).