2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol

C12H9F3N2O2 — CID 137341422

IUPAC2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol
SMILESCc1cncc(-c2cc(OC(F)(F)F)ccc2O)n1
InChIInChI=1S/C12H9F3N2O2/c1-7-5-16-6-10(17-7)9-4-8(2-3-11(9)18)19-12(13,14)15/h2-6,18H,1H3
InChIKeyROAIZEONGYXGBU-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.06
Rot. Bonds2

About 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol

2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol (PubChem CID 137341422) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol
PubChem CID137341422
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol
SMILESCc1cncc(-c2cc(OC(F)(F)F)ccc2O)n1
InChIInChI=1S/C12H9F3N2O2/c1-7-5-16-6-10(17-7)9-4-8(2-3-11(9)18)19-12(13,14)15/h2-6,18H,1H3
InChIKeyROAIZEONGYXGBU-UHFFFAOYSA-N
XLogP3.06
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-6-methyl-2-pyridinyl)-4-(trifluoromethoxy)phenol
CID 137340116
2-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-4-(trifluoromethoxy)phenol
CID 138385184
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
2-(tetrazolo[1,5-a]pyridin-5-yl)-4-(trifluoromethoxy)phenol
CID 138379283
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(trifluoromethoxy)phenol
CID 168617008
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol?
The IUPAC name of 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol (CID 137341422) is 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol?
The canonical SMILES for 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol is Cc1cncc(-c2cc(OC(F)(F)F)ccc2O)n1.
What is the InChIKey of 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol?
The InChIKey is ROAIZEONGYXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-7-5-16-6-10(17-7)9-4-8(2-3-11(9)18)19-12(13,14)15/h2-6,18H,1H3.
What are the key properties of 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol?
2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol has a molecular weight of 270.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrazin-2-yl)-4-(trifluoromethoxy)phenol is sourced from PubChem (CID 137341422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).