2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol

C13H12ClFN2O — CID 105081261

IUPAC2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCc1cnc(C(O)Cc2c(F)cccc2Cl)cn1
InChIInChI=1S/C13H12ClFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-10(14)3-2-4-11(9)15/h2-4,6-7,13,18H,5H2,1H3
InChIKeyCEHPCEBUMCDCDR-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol (PubChem CID 105081261) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
PubChem CID105081261
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
SMILESCc1cnc(C(O)Cc2c(F)cccc2Cl)cn1
InChIInChI=1S/C13H12ClFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-10(14)3-2-4-11(9)15/h2-4,6-7,13,18H,5H2,1H3
InChIKeyCEHPCEBUMCDCDR-UHFFFAOYSA-N
XLogP2.85
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210
N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105105691
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(2-chloro-6-fluorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373444
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63426367
2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105178948
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105081232
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol (CID 105081261) is 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol is Cc1cnc(C(O)Cc2c(F)cccc2Cl)cn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol?
The InChIKey is CEHPCEBUMCDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-6-17-12(7-16-8)13(18)5-9-10(14)3-2-4-11(9)15/h2-4,6-7,13,18H,5H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol has a molecular weight of 266.70 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol is sourced from PubChem (CID 105081261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).