3-chloro-1-(methoxymethyl)pyrazin-2-one

C6H7ClN2O2 — CID 114561459

IUPAC3-chloro-1-(methoxymethyl)pyrazin-2-one
SMILESCOCn1ccnc(Cl)c1=O
InChIInChI=1S/C6H7ClN2O2/c1-11-4-9-3-2-8-5(7)6(9)10/h2-3H,4H2,1H3
InChIKeyUJWXFAUKFOKDSU-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.50
Rot. Bonds2

About 3-chloro-1-(methoxymethyl)pyrazin-2-one

3-chloro-1-(methoxymethyl)pyrazin-2-one (PubChem CID 114561459) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 3-chloro-1-(methoxymethyl)pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-(methoxymethyl)pyrazin-2-one
PubChem CID114561459
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name3-chloro-1-(methoxymethyl)pyrazin-2-one
SMILESCOCn1ccnc(Cl)c1=O
InChIInChI=1S/C6H7ClN2O2/c1-11-4-9-3-2-8-5(7)6(9)10/h2-3H,4H2,1H3
InChIKeyUJWXFAUKFOKDSU-UHFFFAOYSA-N
XLogP0.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(methoxymethyl)pyrazin-2-one?
The IUPAC name of 3-chloro-1-(methoxymethyl)pyrazin-2-one (CID 114561459) is 3-chloro-1-(methoxymethyl)pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-(methoxymethyl)pyrazin-2-one?
The canonical SMILES for 3-chloro-1-(methoxymethyl)pyrazin-2-one is COCn1ccnc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-(methoxymethyl)pyrazin-2-one?
The InChIKey is UJWXFAUKFOKDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-11-4-9-3-2-8-5(7)6(9)10/h2-3H,4H2,1H3.
What are the key properties of 3-chloro-1-(methoxymethyl)pyrazin-2-one?
3-chloro-1-(methoxymethyl)pyrazin-2-one has a molecular weight of 174.59 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(methoxymethyl)pyrazin-2-one is sourced from PubChem (CID 114561459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).