2-chloropyridazin-3-one

C4H3ClN2O — CID 87733115

IUPAC2-chloropyridazin-3-one
SMILESO=c1cccnn1Cl
InChIInChI=1S/C4H3ClN2O/c5-7-4(8)2-1-3-6-7/h1-3H
InChIKeyFPCLISZEWJIVEW-UHFFFAOYSA-N
MW130.53 g/mol
LogP0.25
Rot. Bonds

About 2-chloropyridazin-3-one

2-chloropyridazin-3-one (PubChem CID 87733115) has the molecular formula C4H3ClN2O and a molecular weight of 130.53 g/mol. Its IUPAC name is 2-chloropyridazin-3-one.

Molecular Properties

Compound Name2-chloropyridazin-3-one
PubChem CID87733115
Molecular FormulaC4H3ClN2O
Molecular Weight130.53 g/mol
Exact Mass129.99
IUPAC Name2-chloropyridazin-3-one
SMILESO=c1cccnn1Cl
InChIInChI=1S/C4H3ClN2O/c5-7-4(8)2-1-3-6-7/h1-3H
InChIKeyFPCLISZEWJIVEW-UHFFFAOYSA-N
XLogP0.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.53
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyridazin-3-one?
The IUPAC name of 2-chloropyridazin-3-one (CID 87733115) is 2-chloropyridazin-3-one.
What is the SMILES notation for 2-chloropyridazin-3-one?
The canonical SMILES for 2-chloropyridazin-3-one is O=c1cccnn1Cl.
What is the InChIKey of 2-chloropyridazin-3-one?
The InChIKey is FPCLISZEWJIVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O/c5-7-4(8)2-1-3-6-7/h1-3H.
What are the key properties of 2-chloropyridazin-3-one?
2-chloropyridazin-3-one has a molecular weight of 130.53 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridazin-3-one is sourced from PubChem (CID 87733115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).