4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one

C17H10Cl2F2N2O2 — CID 14072268

IUPAC4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F2N2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)19)14-6-5-12(20)7-13(14)21/h1-8H,9H2
InChIKeyOECZXLMUYYKIDY-UHFFFAOYSA-N
MW383.18 g/mol
LogP4.40
Rot. Bonds4

About 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one

4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one (PubChem CID 14072268) has the molecular formula C17H10Cl2F2N2O2 and a molecular weight of 383.18 g/mol. Its IUPAC name is 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one
PubChem CID14072268
Molecular FormulaC17H10Cl2F2N2O2
Molecular Weight383.18 g/mol
Exact Mass382.01
IUPAC Name4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H10Cl2F2N2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)19)14-6-5-12(20)7-13(14)21/h1-8H,9H2
InChIKeyOECZXLMUYYKIDY-UHFFFAOYSA-N
XLogP4.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.18
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one (CID 14072268) is 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one is O=c1c(Cl)c(OCc2ccc(Cl)cc2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one?
The InChIKey is OECZXLMUYYKIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N2O2/c18-11-3-1-10(2-4-11)9-25-15-8-22-23(17(24)16(15)19)14-6-5-12(20)7-13(14)21/h1-8H,9H2.
What are the key properties of 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one?
4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one has a molecular weight of 383.18 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-chlorophenyl)methoxy]-2-(2,4-difluorophenyl)pyridazin-3-one is sourced from PubChem (CID 14072268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).