6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one

C13H11Cl2F2N3O — CID 18717411

IUPAC6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(Cl)c(C(C)(F)F)cc1=O
InChIInChI=1S/C13H11Cl2F2N3O/c1-6-4-9(14)7(2)18-12(6)20-10(21)5-8(11(15)19-20)13(3,16)17/h4-5H,1-3H3
InChIKeyZMWKTBFPNWNMGP-UHFFFAOYSA-N
MW334.15 g/mol
LogP3.66
Rot. Bonds2

About 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one

6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one (PubChem CID 18717411) has the molecular formula C13H11Cl2F2N3O and a molecular weight of 334.15 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
PubChem CID18717411
Molecular FormulaC13H11Cl2F2N3O
Molecular Weight334.15 g/mol
Exact Mass333.02
IUPAC Name6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(Cl)c(C(C)(F)F)cc1=O
InChIInChI=1S/C13H11Cl2F2N3O/c1-6-4-9(14)7(2)18-12(6)20-10(21)5-8(11(15)19-20)13(3,16)17/h4-5H,1-3H3
InChIKeyZMWKTBFPNWNMGP-UHFFFAOYSA-N
XLogP3.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one with MolForge

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Related Compounds

N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)acetamide
CID 25104692
N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
CID 177168108
5-chloro-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 10586675
4,5-Dichloro-2-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)-3(2H)-pyridazinone
CID 1489609
2-(5-Chloro-3,6-dimethyl-1-oxidopyridin-1-ium-2-yl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717244
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-ethylpyridazin-3-one
CID 18717252
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717253
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 18717261
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one
CID 18717262
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one
CID 18717263
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-methylpyridazin-3-one
CID 18717264
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717265

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
The IUPAC name of 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one (CID 18717411) is 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one is Cc1cc(Cl)c(C)nc1-n1nc(Cl)c(C(C)(F)F)cc1=O.
What is the InChIKey of 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
The InChIKey is ZMWKTBFPNWNMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F2N3O/c1-6-4-9(14)7(2)18-12(6)20-10(21)5-8(11(15)19-20)13(3,16)17/h4-5H,1-3H3.
What are the key properties of 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one?
6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one has a molecular weight of 334.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one is sourced from PubChem (CID 18717411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).