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

C15H16ClF2N3O — CID 18717262

IUPAC2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)(F)F)c(C)c1=O
InChIInChI=1S/C15H16ClF2N3O/c1-7-6-11(16)9(3)19-13(7)21-14(22)8(2)12(10(4)20-21)15(5,17)18/h6H,1-5H3
InChIKeyRKTILORSVSJRSN-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.63
Rot. Bonds2

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

2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one (PubChem CID 18717262) 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)-4,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one
PubChem CID18717262
Molecular FormulaC15H16ClF2N3O
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)(F)F)c(C)c1=O
InChIInChI=1S/C15H16ClF2N3O/c1-7-6-11(16)9(3)19-13(7)21-14(22)8(2)12(10(4)20-21)15(5,17)18/h6H,1-5H3
InChIKeyRKTILORSVSJRSN-UHFFFAOYSA-N
XLogP3.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one?
The IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one (CID 18717262) is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one.
What is the SMILES notation for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one?
The canonical SMILES for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one is Cc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)(F)F)c(C)c1=O.
What is the InChIKey of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one?
The InChIKey is RKTILORSVSJRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O/c1-7-6-11(16)9(3)19-13(7)21-14(22)8(2)12(10(4)20-21)15(5,17)18/h6H,1-5H3.
What are the key properties of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one?
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one has a molecular weight of 327.76 g/mol, XLogP of 3.63, 2 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)-4,6-dimethylpyridazin-3-one is sourced from PubChem (CID 18717262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).