2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine

C9H11FN2O — CID 142902620

IUPAC2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine
SMILESCc1cnc(OCC2(F)CC2)cn1
InChIInChI=1S/C9H11FN2O/c1-7-4-12-8(5-11-7)13-6-9(10)2-3-9/h4-5H,2-3,6H2,1H3
InChIKeyZFKLCXXXJUYORC-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.67
Rot. Bonds3

About 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine

2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine (PubChem CID 142902620) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine.

Molecular Properties

Compound Name2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine
PubChem CID142902620
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine
SMILESCc1cnc(OCC2(F)CC2)cn1
InChIInChI=1S/C9H11FN2O/c1-7-4-12-8(5-11-7)13-6-9(10)2-3-9/h4-5H,2-3,6H2,1H3
InChIKeyZFKLCXXXJUYORC-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine?
The IUPAC name of 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine (CID 142902620) is 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine.
What is the SMILES notation for 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine?
The canonical SMILES for 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine is Cc1cnc(OCC2(F)CC2)cn1.
What is the InChIKey of 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine?
The InChIKey is ZFKLCXXXJUYORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-7-4-12-8(5-11-7)13-6-9(10)2-3-9/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine?
2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine has a molecular weight of 182.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-fluorocyclopropyl)methoxy]-5-methylpyrazine is sourced from PubChem (CID 142902620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).