4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one

C14H14Cl2FN3O — CID 18717374

IUPAC4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)F)c(Cl)c1=O
InChIInChI=1S/C14H14Cl2FN3O/c1-6-5-10(15)8(3)18-13(6)20-14(21)12(16)11(7(2)17)9(4)19-20/h5,7H,1-4H3
InChIKeyIMADTDSGRXOMOQ-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.89
Rot. Bonds2

About 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one

4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one (PubChem CID 18717374) has the molecular formula C14H14Cl2FN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one
PubChem CID18717374
Molecular FormulaC14H14Cl2FN3O
Molecular Weight330.19 g/mol
Exact Mass329.05
IUPAC Name4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one
SMILESCc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)F)c(Cl)c1=O
InChIInChI=1S/C14H14Cl2FN3O/c1-6-5-10(15)8(3)18-13(6)20-14(21)12(16)11(7(2)17)9(4)19-20/h5,7H,1-4H3
InChIKeyIMADTDSGRXOMOQ-UHFFFAOYSA-N
XLogP3.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one?
The IUPAC name of 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one (CID 18717374) is 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one is Cc1cc(Cl)c(C)nc1-n1nc(C)c(C(C)F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one?
The InChIKey is IMADTDSGRXOMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O/c1-6-5-10(15)8(3)18-13(6)20-14(21)12(16)11(7(2)17)9(4)19-20/h5,7H,1-4H3.
What are the key properties of 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one?
4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one has a molecular weight of 330.19 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 18717374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).