2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one

C15H16ClF2N3O — CID 18717263

IUPAC2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one
SMILESCCc1c(C(C)(F)F)cnn(-c2nc(C)c(Cl)cc2C)c1=O
InChIInChI=1S/C15H16ClF2N3O/c1-5-10-11(15(4,17)18)7-19-21(14(10)22)13-8(2)6-12(16)9(3)20-13/h6-7H,5H2,1-4H3
InChIKeyXPKAADIBXHQWDN-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.57
Rot. Bonds3

About 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one

2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one (PubChem CID 18717263) has the molecular formula C15H16ClF2N3O and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one
PubChem CID18717263
Molecular FormulaC15H16ClF2N3O
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one
SMILESCCc1c(C(C)(F)F)cnn(-c2nc(C)c(Cl)cc2C)c1=O
InChIInChI=1S/C15H16ClF2N3O/c1-5-10-11(15(4,17)18)7-19-21(14(10)22)13-8(2)6-12(16)9(3)20-13/h6-7H,5H2,1-4H3
InChIKeyXPKAADIBXHQWDN-UHFFFAOYSA-N
XLogP3.57
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one?
The IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one (CID 18717263) is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one.
What is the SMILES notation for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one?
The canonical SMILES for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one is CCc1c(C(C)(F)F)cnn(-c2nc(C)c(Cl)cc2C)c1=O.
What is the InChIKey of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one?
The InChIKey is XPKAADIBXHQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O/c1-5-10-11(15(4,17)18)7-19-21(14(10)22)13-8(2)6-12(16)9(3)20-13/h6-7H,5H2,1-4H3.
What are the key properties of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one?
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one has a molecular weight of 327.76 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one is sourced from PubChem (CID 18717263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).