1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol

C14H13BrClNO — CID 114020682

IUPAC1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO/c1-9-3-2-4-17-13(9)8-14(18)10-5-11(15)7-12(16)6-10/h2-7,14,18H,8H2,1H3
InChIKeyUDZVGDUWJLSNNU-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.08
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol

1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 114020682) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID114020682
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO/c1-9-3-2-4-17-13(9)8-14(18)10-5-11(15)7-12(16)6-10/h2-7,14,18H,8H2,1H3
InChIKeyUDZVGDUWJLSNNU-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-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099
1-(3-bromo-5-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446478
1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66459897
1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
1-(3-bromo-5-chlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 107947699
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol (CID 114020682) is 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1CC(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is UDZVGDUWJLSNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-3-2-4-17-13(9)8-14(18)10-5-11(15)7-12(16)6-10/h2-7,14,18H,8H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-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-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 114020682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).