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

C13H10BrClFNO — CID 103039701

IUPAC1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1ncccc1Br
InChIInChI=1S/C13H10BrClFNO/c14-9-2-1-5-17-13(9)12(18)7-8-3-4-11(16)10(15)6-8/h1-6,12,18H,7H2
InChIKeyFGOPXWPQVYFIGK-UHFFFAOYSA-N
MW330.58 g/mol
LogP3.91
Rot. Bonds3

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

1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol (PubChem CID 103039701) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
PubChem CID103039701
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
SMILESOC(Cc1ccc(F)c(Cl)c1)c1ncccc1Br
InChIInChI=1S/C13H10BrClFNO/c14-9-2-1-5-17-13(9)12(18)7-8-3-4-11(16)10(15)6-8/h1-6,12,18H,7H2
InChIKeyFGOPXWPQVYFIGK-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-isoquinolin-1-ylethanol
CID 103039584
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
1-(3-bromo-2-pyridinyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 113398316
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
CID 114931671
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(3-fluoro-2-pyridinyl)ethanamine
CID 103040362
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
1-(3-bromo-2-pyridinyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107885135
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443644
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039131
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol (CID 103039701) is 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol is OC(Cc1ccc(F)c(Cl)c1)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol?
The InChIKey is FGOPXWPQVYFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-9-2-1-5-17-13(9)12(18)7-8-3-4-11(16)10(15)6-8/h1-6,12,18H,7H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol?
1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol has a molecular weight of 330.58 g/mol, XLogP of 3.91, 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-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 103039701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).