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

C13H10BrCl2NO — CID 103443505

IUPAC2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c14-9-4-3-8(11(16)7-9)6-12(18)13-10(15)2-1-5-17-13/h1-5,7,12,18H,6H2
InChIKeyZOZNSLWZIVSQFB-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.43
Rot. Bonds3

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

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol (PubChem CID 103443505) has the molecular formula C13H10BrCl2NO and a molecular weight of 347.04 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
PubChem CID103443505
Molecular FormulaC13H10BrCl2NO
Molecular Weight347.04 g/mol
Exact Mass344.93
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
SMILESOC(Cc1ccc(Br)cc1Cl)c1ncccc1Cl
InChIInChI=1S/C13H10BrCl2NO/c14-9-4-3-8(11(16)7-9)6-12(18)13-10(15)2-1-5-17-13/h1-5,7,12,18H,6H2
InChIKeyZOZNSLWZIVSQFB-UHFFFAOYSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103443743
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443644
[2-(4-bromo-2-chlorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209275
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
2-(4-bromo-2-chlorophenyl)-1-(5-iodothiophen-3-yl)ethanol
CID 115833911
1-(2-amino-5-bromophenyl)-2-(2-chlorophenyl)ethanol
CID 82704231
2-(4-bromo-2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105126709
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol (CID 103443505) is 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol is OC(Cc1ccc(Br)cc1Cl)c1ncccc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol?
The InChIKey is ZOZNSLWZIVSQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO/c14-9-4-3-8(11(16)7-9)6-12(18)13-10(15)2-1-5-17-13/h1-5,7,12,18H,6H2.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol?
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol has a molecular weight of 347.04 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 103443505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).