1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol

C13H10Br2ClNO — CID 115833417

IUPAC1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H10Br2ClNO/c14-10-3-8(6-17-7-10)4-13(18)9-1-2-11(15)12(16)5-9/h1-3,5-7,13,18H,4H2
InChIKeyICMSTKSXHAOJBK-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.54
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol

1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol (PubChem CID 115833417) has the molecular formula C13H10Br2ClNO and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
PubChem CID115833417
Molecular FormulaC13H10Br2ClNO
Molecular Weight391.49 g/mol
Exact Mass388.88
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
SMILESOC(Cc1cncc(Br)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H10Br2ClNO/c14-10-3-8(6-17-7-10)4-13(18)9-1-2-11(15)12(16)5-9/h1-3,5-7,13,18H,4H2
InChIKeyICMSTKSXHAOJBK-UHFFFAOYSA-N
XLogP4.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
1-(4-bromo-3-chlorophenyl)-3-methylbut-3-en-1-ol
CID 115816867
2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
CID 115833386
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol (CID 115833417) is 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol is OC(Cc1cncc(Br)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol?
The InChIKey is ICMSTKSXHAOJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNO/c14-10-3-8(6-17-7-10)4-13(18)9-1-2-11(15)12(16)5-9/h1-3,5-7,13,18H,4H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol?
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol has a molecular weight of 391.49 g/mol, XLogP of 4.54, 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-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol is sourced from PubChem (CID 115833417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).