2-chloro-3-(methoxymethyl)pyrazine

C6H7ClN2O — CID 53385544

IUPAC2-chloro-3-(methoxymethyl)pyrazine
SMILESCOCc1nccnc1Cl
InChIInChI=1S/C6H7ClN2O/c1-10-4-5-6(7)9-3-2-8-5/h2-3H,4H2,1H3
InChIKeyJSCQJSFWVLOADO-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.28
Rot. Bonds2

About 2-chloro-3-(methoxymethyl)pyrazine

2-chloro-3-(methoxymethyl)pyrazine (PubChem CID 53385544) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-3-(methoxymethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(methoxymethyl)pyrazine
PubChem CID53385544
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-3-(methoxymethyl)pyrazine
SMILESCOCc1nccnc1Cl
InChIInChI=1S/C6H7ClN2O/c1-10-4-5-6(7)9-3-2-8-5/h2-3H,4H2,1H3
InChIKeyJSCQJSFWVLOADO-UHFFFAOYSA-N
XLogP1.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(methoxymethyl)pyrazine?
The IUPAC name of 2-chloro-3-(methoxymethyl)pyrazine (CID 53385544) is 2-chloro-3-(methoxymethyl)pyrazine.
What is the SMILES notation for 2-chloro-3-(methoxymethyl)pyrazine?
The canonical SMILES for 2-chloro-3-(methoxymethyl)pyrazine is COCc1nccnc1Cl.
What is the InChIKey of 2-chloro-3-(methoxymethyl)pyrazine?
The InChIKey is JSCQJSFWVLOADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-10-4-5-6(7)9-3-2-8-5/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-3-(methoxymethyl)pyrazine?
2-chloro-3-(methoxymethyl)pyrazine has a molecular weight of 158.59 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(methoxymethyl)pyrazine is sourced from PubChem (CID 53385544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).