1-[6-(difluoromethyl)pyrazin-2-yl]ethanol

C7H8F2N2O — CID 84654834

IUPAC1-[6-(difluoromethyl)pyrazin-2-yl]ethanol
SMILESCC(O)c1cncc(C(F)F)n1
InChIInChI=1S/C7H8F2N2O/c1-4(12)5-2-10-3-6(11-5)7(8)9/h2-4,7,12H,1H3
InChIKeyADCLSGQSHOKFQH-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.47
Rot. Bonds2

About 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol

1-[6-(difluoromethyl)pyrazin-2-yl]ethanol (PubChem CID 84654834) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-(difluoromethyl)pyrazin-2-yl]ethanol
PubChem CID84654834
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name1-[6-(difluoromethyl)pyrazin-2-yl]ethanol
SMILESCC(O)c1cncc(C(F)F)n1
InChIInChI=1S/C7H8F2N2O/c1-4(12)5-2-10-3-6(11-5)7(8)9/h2-4,7,12H,1H3
InChIKeyADCLSGQSHOKFQH-UHFFFAOYSA-N
XLogP1.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methylpyrazin-2-yl)methanol
CID 580061
2-(1-Hydroxy-1-methylethyl)-5-(1-methylethyl)pyrazine
CID 11535672
Pyrazinemethanol
CID 201734
1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(6-Methylpyrazin-2-yl)methanol
CID 580062
(5,6-Dimethylpyrazin-2-yl)methanol
CID 22902693
1-(3-Bromopyrazin-2-yl)ethan-1-ol
CID 11816533
2-(2-Pyrazinyl)-2-propanol
CID 579263
(1R)-1-(pyrazin-2-yl)ethan-1-ol
CID 15032166
1-(5-Chloropyrazin-2-yl)-2,2,2-trifluoroethan-1-ol
CID 146049012
(1S)-1-(pyrazin-2-yl)ethan-1-ol
CID 51656285
1-(6-Bromopyrazin-2-yl)ethan-1-ol
CID 169267662

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol?
The IUPAC name of 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol (CID 84654834) is 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol is CC(O)c1cncc(C(F)F)n1.
What is the InChIKey of 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol?
The InChIKey is ADCLSGQSHOKFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-4(12)5-2-10-3-6(11-5)7(8)9/h2-4,7,12H,1H3.
What are the key properties of 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol?
1-[6-(difluoromethyl)pyrazin-2-yl]ethanol has a molecular weight of 174.15 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 84654834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).