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

C7H9F2N3O — CID 84661840

IUPAC2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol
SMILESNC(CO)c1cnc(C(F)F)cn1
InChIInChI=1S/C7H9F2N3O/c8-7(9)6-2-11-5(1-12-6)4(10)3-13/h1-2,4,7,13H,3,10H2
InChIKeyLJVAFLJNNQMWON-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.41
Rot. Bonds3

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

2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol (PubChem CID 84661840) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol
PubChem CID84661840
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol
SMILESNC(CO)c1cnc(C(F)F)cn1
InChIInChI=1S/C7H9F2N3O/c8-7(9)6-2-11-5(1-12-6)4(10)3-13/h1-2,4,7,13H,3,10H2
InChIKeyLJVAFLJNNQMWON-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

2-(2-Hydroxyethyl)-pyrazine
CID 522247
5-Methyl-2-pyrazineethanol
CID 20444199
2-(6-Methyl-2-pyrazinyl)ethyl alcohol
CID 20444204
(2R)-2-amino-2-(pyrazin-2-yl)ethan-1-ol dihydrochloride
CID 165590941
2,2-Difluoro-2-(5-methylpyrazin-2-yl)ethan-1-ol
CID 118938511
5-(1,1-Difluoro-2-hydroxyethyl)pyrazine-2-carbonitrile
CID 126524295
(2S)-1-[1-[5-(trifluoromethyl)pyrazin-2-yl]ethylamino]propan-2-ol
CID 171475088
2-Pyrazin-2-yl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 64190730
2-Amino-1-[5-(difluoromethyl)pyrazin-2-yl]ethanol
CID 84661839
2-Amino-1-[6-(difluoromethyl)pyrazin-2-yl]ethanol
CID 84661841
2-Amino-2-[6-(difluoromethyl)pyrazin-2-yl]ethanol
CID 84661842
3-Amino-3-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
CID 84671275

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol (CID 84661840) is 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol is NC(CO)c1cnc(C(F)F)cn1.
What is the InChIKey of 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
The InChIKey is LJVAFLJNNQMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)6-2-11-5(1-12-6)4(10)3-13/h1-2,4,7,13H,3,10H2.
What are the key properties of 2-amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol?
2-amino-2-[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-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol is sourced from PubChem (CID 84661840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).