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

C14H13BrClNO — CID 81446998

IUPAC1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2ccncc2Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO/c1-9-6-11(2-3-12(9)15)14(18)7-10-4-5-17-8-13(10)16/h2-6,8,14,18H,7H2,1H3
InChIKeyWFBOQOCXQZTZOB-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.08
Rot. Bonds3

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

1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol (PubChem CID 81446998) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
PubChem CID81446998
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESCc1cc(C(O)Cc2ccncc2Cl)ccc1Br
InChIInChI=1S/C14H13BrClNO/c1-9-6-11(2-3-12(9)15)14(18)7-10-4-5-17-8-13(10)16/h2-6,8,14,18H,7H2,1H3
InChIKeyWFBOQOCXQZTZOB-UHFFFAOYSA-N
XLogP4.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655806
[1-(4-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105314719
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653147
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(4-bromo-3-methylphenyl)-2-phenylethanol
CID 81447483
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol (CID 81446998) is 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol is Cc1cc(C(O)Cc2ccncc2Cl)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The InChIKey is WFBOQOCXQZTZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-6-11(2-3-12(9)15)14(18)7-10-4-5-17-8-13(10)16/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol has a molecular weight of 326.62 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 81446998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).