[5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol

C7H7F3N2O2 — CID 163295072

IUPAC[5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol
SMILESCOc1cnc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-14-5-2-11-4(3-13)6(12-5)7(8,9)10/h2,13H,3H2,1H3
InChIKeyHKBFHAJFKQPLQO-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.00
Rot. Bonds2

About [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol

[5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol (PubChem CID 163295072) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol
PubChem CID163295072
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name[5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol
SMILESCOc1cnc(CO)c(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-14-5-2-11-4(3-13)6(12-5)7(8,9)10/h2,13H,3H2,1H3
InChIKeyHKBFHAJFKQPLQO-UHFFFAOYSA-N
XLogP1.00
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol?
The IUPAC name of [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol (CID 163295072) is [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol?
The canonical SMILES for [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol is COc1cnc(CO)c(C(F)(F)F)n1.
What is the InChIKey of [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol?
The InChIKey is HKBFHAJFKQPLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-14-5-2-11-4(3-13)6(12-5)7(8,9)10/h2,13H,3H2,1H3.
What are the key properties of [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol?
[5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol has a molecular weight of 208.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-3-(trifluoromethyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 163295072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).