[5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol

C8H10F2N2O — CID 170272208

IUPAC[5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol
SMILESCc1nc(C(F)F)c(C)nc1CO
InChIInChI=1S/C8H10F2N2O/c1-4-6(3-13)11-5(2)7(12-4)8(9)10/h8,13H,3H2,1-2H3
InChIKeyHMOPDQHWRNPRGL-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.52
Rot. Bonds2

About [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol

[5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol (PubChem CID 170272208) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol
PubChem CID170272208
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol
SMILESCc1nc(C(F)F)c(C)nc1CO
InChIInChI=1S/C8H10F2N2O/c1-4-6(3-13)11-5(2)7(12-4)8(9)10/h8,13H,3H2,1-2H3
InChIKeyHMOPDQHWRNPRGL-UHFFFAOYSA-N
XLogP1.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol?
The IUPAC name of [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol (CID 170272208) is [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol?
The canonical SMILES for [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol is Cc1nc(C(F)F)c(C)nc1CO.
What is the InChIKey of [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol?
The InChIKey is HMOPDQHWRNPRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-4-6(3-13)11-5(2)7(12-4)8(9)10/h8,13H,3H2,1-2H3.
What are the key properties of [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol?
[5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol has a molecular weight of 188.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-3,6-dimethylpyrazin-2-yl]methanol is sourced from PubChem (CID 170272208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).