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

C14H13BrClNO — CID 112655806

IUPAC1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESCc1c(Br)cccc1C(O)Cc1ccncc1Cl
InChIInChI=1S/C14H13BrClNO/c1-9-11(3-2-4-12(9)15)14(18)7-10-5-6-17-8-13(10)16/h2-6,8,14,18H,7H2,1H3
InChIKeyOQHYLTIFJCXINP-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.08
Rot. Bonds3

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

1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol (PubChem CID 112655806) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
PubChem CID112655806
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
SMILESCc1c(Br)cccc1C(O)Cc1ccncc1Cl
InChIInChI=1S/C14H13BrClNO/c1-9-11(3-2-4-12(9)15)14(18)7-10-5-6-17-8-13(10)16/h2-6,8,14,18H,7H2,1H3
InChIKeyOQHYLTIFJCXINP-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

2-(3-chloro-4-pyridinyl)-1-(2-methylsulfanylphenyl)ethanol
CID 112655772
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
1-(4-bromo-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 81446998
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
2-(3-chloro-4-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 79234085
4-[2-bromo-2-(2,3-dichlorophenyl)ethyl]-3-chloropyridine
CID 112656071
4-(2-bromo-2-naphthalen-1-ylethyl)-3-chloropyridine
CID 115985139
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
1-(3-bromo-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826147
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol (CID 112655806) is 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol is Cc1c(Br)cccc1C(O)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
The InChIKey is OQHYLTIFJCXINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-11(3-2-4-12(9)15)14(18)7-10-5-6-17-8-13(10)16/h2-6,8,14,18H,7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol?
1-(3-bromo-2-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-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 112655806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).