2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine

C12H11ClN2O — CID 170557814

IUPAC2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine
SMILESCOCc1cc(-c2cnccn2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-8-10-6-9(2-3-11(10)13)12-7-14-4-5-15-12/h2-7H,8H2,1H3
InChIKeyXJLQBUFSUSCPHR-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.94
Rot. Bonds3

About 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine

2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine (PubChem CID 170557814) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine
PubChem CID170557814
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine
SMILESCOCc1cc(-c2cnccn2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c1-16-8-10-6-9(2-3-11(10)13)12-7-14-4-5-15-12/h2-7H,8H2,1H3
InChIKeyXJLQBUFSUSCPHR-UHFFFAOYSA-N
XLogP2.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine?
The IUPAC name of 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine (CID 170557814) is 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine.
What is the SMILES notation for 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine?
The canonical SMILES for 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine is COCc1cc(-c2cnccn2)ccc1Cl.
What is the InChIKey of 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine?
The InChIKey is XJLQBUFSUSCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-8-10-6-9(2-3-11(10)13)12-7-14-4-5-15-12/h2-7H,8H2,1H3.
What are the key properties of 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine?
2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine has a molecular weight of 234.69 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(methoxymethyl)phenyl]pyrazine is sourced from PubChem (CID 170557814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).