6-chloro-2-(difluoromethyl)pyridazin-3-one

C5H3ClF2N2O — CID 69306581

IUPAC6-chloro-2-(difluoromethyl)pyridazin-3-one
SMILESO=c1ccc(Cl)nn1C(F)F
InChIInChI=1S/C5H3ClF2N2O/c6-3-1-2-4(11)10(9-3)5(7)8/h1-2,5H
InChIKeyPDFBUUGHQSNRIR-UHFFFAOYSA-N
MW180.54 g/mol
LogP1.29
Rot. Bonds1

About 6-chloro-2-(difluoromethyl)pyridazin-3-one

6-chloro-2-(difluoromethyl)pyridazin-3-one (PubChem CID 69306581) has the molecular formula C5H3ClF2N2O and a molecular weight of 180.54 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(difluoromethyl)pyridazin-3-one
PubChem CID69306581
Molecular FormulaC5H3ClF2N2O
Molecular Weight180.54 g/mol
Exact Mass179.99
IUPAC Name6-chloro-2-(difluoromethyl)pyridazin-3-one
SMILESO=c1ccc(Cl)nn1C(F)F
InChIInChI=1S/C5H3ClF2N2O/c6-3-1-2-4(11)10(9-3)5(7)8/h1-2,5H
InChIKeyPDFBUUGHQSNRIR-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(difluoromethyl)pyridazin-3-one (CID 69306581) is 6-chloro-2-(difluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(difluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(difluoromethyl)pyridazin-3-one is O=c1ccc(Cl)nn1C(F)F.
What is the InChIKey of 6-chloro-2-(difluoromethyl)pyridazin-3-one?
The InChIKey is PDFBUUGHQSNRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O/c6-3-1-2-4(11)10(9-3)5(7)8/h1-2,5H.
What are the key properties of 6-chloro-2-(difluoromethyl)pyridazin-3-one?
6-chloro-2-(difluoromethyl)pyridazin-3-one has a molecular weight of 180.54 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethyl)pyridazin-3-one is sourced from PubChem (CID 69306581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).