2-fluoro-5-(propan-2-yloxymethyl)pyrazine

C8H11FN2O — CID 170969516

IUPAC2-fluoro-5-(propan-2-yloxymethyl)pyrazine
SMILESCC(C)OCc1cnc(F)cn1
InChIInChI=1S/C8H11FN2O/c1-6(2)12-5-7-3-11-8(9)4-10-7/h3-4,6H,5H2,1-2H3
InChIKeyRSQNLVCLOJODPU-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.54
Rot. Bonds3

About 2-fluoro-5-(propan-2-yloxymethyl)pyrazine

2-fluoro-5-(propan-2-yloxymethyl)pyrazine (PubChem CID 170969516) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-fluoro-5-(propan-2-yloxymethyl)pyrazine.

Molecular Properties

Compound Name2-fluoro-5-(propan-2-yloxymethyl)pyrazine
PubChem CID170969516
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-fluoro-5-(propan-2-yloxymethyl)pyrazine
SMILESCC(C)OCc1cnc(F)cn1
InChIInChI=1S/C8H11FN2O/c1-6(2)12-5-7-3-11-8(9)4-10-7/h3-4,6H,5H2,1-2H3
InChIKeyRSQNLVCLOJODPU-UHFFFAOYSA-N
XLogP1.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-(3,5 or 6)-methylpyrazine
CID 113204
Pyrazine, 2-methoxymethyl-5-methyl-, 4-oxide
CID 3068148
Pyrazine, 2-(ethoxymethyl)-5-methyl-, 4-oxide
CID 3068149
Pyrazine, 2-ethoxymethyl-
CID 103404
Pyrazin-2-ylmethyl acetate
CID 12933345
(6-Methylpyrazin-2-yl)methyl acetate
CID 13123637
2,5-Bis(methoxymethyl)pyrazine
CID 14257640
2-(Prop-2-ynoxymethyl)pyrazine
CID 14531221
(5-Methylpyrazin-2-yl)methyl acetate
CID 14532641
(5-Fluoropyrazin-2-yl)methyl propanoate
CID 23462028
(5-Fluoropyrazin-2-yl)methyl 2,2-dimethylpropanoate
CID 23462037
(5-Fluoropyrazin-2-yl)methyl prop-2-enoate
CID 23462044

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(propan-2-yloxymethyl)pyrazine?
The IUPAC name of 2-fluoro-5-(propan-2-yloxymethyl)pyrazine (CID 170969516) is 2-fluoro-5-(propan-2-yloxymethyl)pyrazine.
What is the SMILES notation for 2-fluoro-5-(propan-2-yloxymethyl)pyrazine?
The canonical SMILES for 2-fluoro-5-(propan-2-yloxymethyl)pyrazine is CC(C)OCc1cnc(F)cn1.
What is the InChIKey of 2-fluoro-5-(propan-2-yloxymethyl)pyrazine?
The InChIKey is RSQNLVCLOJODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-6(2)12-5-7-3-11-8(9)4-10-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-fluoro-5-(propan-2-yloxymethyl)pyrazine?
2-fluoro-5-(propan-2-yloxymethyl)pyrazine has a molecular weight of 170.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(propan-2-yloxymethyl)pyrazine is sourced from PubChem (CID 170969516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).