4,5-dichloro-2-(difluoromethyl)pyridazin-3-one

C5H2Cl2F2N2O — CID 114386460

IUPAC4,5-dichloro-2-(difluoromethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C(F)F
InChIInChI=1S/C5H2Cl2F2N2O/c6-2-1-10-11(5(8)9)4(12)3(2)7/h1,5H
InChIKeyJFGXZSVXOIFIGB-UHFFFAOYSA-N
MW214.99 g/mol
LogP1.95
Rot. Bonds1

About 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one

4,5-dichloro-2-(difluoromethyl)pyridazin-3-one (PubChem CID 114386460) has the molecular formula C5H2Cl2F2N2O and a molecular weight of 214.99 g/mol. Its IUPAC name is 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(difluoromethyl)pyridazin-3-one
PubChem CID114386460
Molecular FormulaC5H2Cl2F2N2O
Molecular Weight214.99 g/mol
Exact Mass213.95
IUPAC Name4,5-dichloro-2-(difluoromethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1C(F)F
InChIInChI=1S/C5H2Cl2F2N2O/c6-2-1-10-11(5(8)9)4(12)3(2)7/h1,5H
InChIKeyJFGXZSVXOIFIGB-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4,5-Dichloro-2-(2,2,2-trifluoroethyl)-3(2H)-pyridazinone
CID 13881556
4-Chloro-2-(trifluoromethyl)pyridazin-3-one
CID 174258625
4,5-Dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
CID 175344533
4-Chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099251
4-Chloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 178099315
2-Chloromethyl-4,5-dichloropyridazin-3(2H)-one
CID 4466062
4-Chloro-5-fluoro-2-methylpyridazin-3-one
CID 84075943
4,5-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
CID 106705714
4,5-Dichloro-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114386472
4,5-Dichloro-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 115590087
4,5-Dichloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 115616647

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one (CID 114386460) is 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1C(F)F.
What is the InChIKey of 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one?
The InChIKey is JFGXZSVXOIFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F2N2O/c6-2-1-10-11(5(8)9)4(12)3(2)7/h1,5H.
What are the key properties of 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one?
4,5-dichloro-2-(difluoromethyl)pyridazin-3-one has a molecular weight of 214.99 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(difluoromethyl)pyridazin-3-one is sourced from PubChem (CID 114386460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).