(2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol

C13H12F2N2O — CID 105121731

IUPAC(2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol
SMILESCc1cnc(C(O)c2c(F)ccc(C)c2F)cn1
InChIInChI=1S/C13H12F2N2O/c1-7-3-4-9(14)11(12(7)15)13(18)10-6-16-8(2)5-17-10/h3-6,13,18H,1-2H3
InChIKeyRMWVZXWHNUEKKB-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.45
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol

(2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol (PubChem CID 105121731) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol
PubChem CID105121731
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name(2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol
SMILESCc1cnc(C(O)c2c(F)ccc(C)c2F)cn1
InChIInChI=1S/C13H12F2N2O/c1-7-3-4-9(14)11(12(7)15)13(18)10-6-16-8(2)5-17-10/h3-6,13,18H,1-2H3
InChIKeyRMWVZXWHNUEKKB-UHFFFAOYSA-N
XLogP2.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(5-methylpyrazin-2-yl)methanol
CID 105094711
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 82819933
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
(4-methylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 105078243
(2,6-difluoro-3-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114937941
(2,6-difluoro-3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanol
CID 82822036
(2-methoxy-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 106682549
cyclohexen-1-yl-(2,6-difluoro-3-methylphenyl)methanol
CID 82815650
(7-fluoro-1-benzofuran-2-yl)-(5-methylpyrazin-2-yl)methanol
CID 105130111
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 82819469

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol (CID 105121731) is (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol is Cc1cnc(C(O)c2c(F)ccc(C)c2F)cn1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol?
The InChIKey is RMWVZXWHNUEKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-7-3-4-9(14)11(12(7)15)13(18)10-6-16-8(2)5-17-10/h3-6,13,18H,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol has a molecular weight of 250.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methanol is sourced from PubChem (CID 105121731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).