2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol

C7H9F2N3O — CID 84661839

IUPAC2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol
SMILESNCC(O)c1cnc(C(F)F)cn1
InChIInChI=1S/C7H9F2N3O/c8-7(9)5-3-11-4(2-12-5)6(13)1-10/h2-3,6-7,13H,1,10H2
InChIKeyRZJMEIXKQNUMNL-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol

2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol (PubChem CID 84661839) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol
PubChem CID84661839
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol
SMILESNCC(O)c1cnc(C(F)F)cn1
InChIInChI=1S/C7H9F2N3O/c8-7(9)5-3-11-4(2-12-5)6(13)1-10/h2-3,6-7,13H,1,10H2
InChIKeyRZJMEIXKQNUMNL-UHFFFAOYSA-N
XLogP0.41
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Pyrazin-2-yl)ethan-1-ol
CID 573013
(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-(3-Fluoropyrazin-2-yl)ethanol
CID 15369689
1,1-Difluoro-2-[5-(hydroxymethyl)pyrazin-2-yl]propan-2-ol
CID 69608293
(6-(Trifluoromethyl)pyrazin-2-YL)methanol
CID 72212353
6-(Difluoromethyl)-2-pyrazinemethanol
CID 84651000
5-(Difluoromethyl)-2-pyrazinemethanol
CID 84651001
1,1,1-Trifluoro-2-(5-methylpyrazin-2-yl)propan-2-ol
CID 132099865
(5-(Trifluoromethyl)pyrazin-2-yl)methanol
CID 146012947
(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyrazin-2-yl]ethanol
CID 155153937

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol (CID 84661839) is 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol is NCC(O)c1cnc(C(F)F)cn1.
What is the InChIKey of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
The InChIKey is RZJMEIXKQNUMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)5-3-11-4(2-12-5)6(13)1-10/h2-3,6-7,13H,1,10H2.
What are the key properties of 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol has a molecular weight of 189.17 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 84661839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).