4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one

C19H15ClF2N2O3 — CID 165389177

IUPAC4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1cc(OC)cc(-c2nn(C)c(=O)c(Cl)c2-c2c(F)cccc2F)c1
InChIInChI=1S/C19H15ClF2N2O3/c1-24-19(25)17(20)16(15-13(21)5-4-6-14(15)22)18(23-24)10-7-11(26-2)9-12(8-10)27-3/h4-9H,1-3H3
InChIKeyRIRAZTWKGQXNCJ-UHFFFAOYSA-N
MW392.79 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one

4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 165389177) has the molecular formula C19H15ClF2N2O3 and a molecular weight of 392.79 g/mol. Its IUPAC name is 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one
PubChem CID165389177
Molecular FormulaC19H15ClF2N2O3
Molecular Weight392.79 g/mol
Exact Mass392.07
IUPAC Name4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1cc(OC)cc(-c2nn(C)c(=O)c(Cl)c2-c2c(F)cccc2F)c1
InChIInChI=1S/C19H15ClF2N2O3/c1-24-19(25)17(20)16(15-13(21)5-4-6-14(15)22)18(23-24)10-7-11(26-2)9-12(8-10)27-3/h4-9H,1-3H3
InChIKeyRIRAZTWKGQXNCJ-UHFFFAOYSA-N
XLogP4.06
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one (CID 165389177) is 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one is COc1cc(OC)cc(-c2nn(C)c(=O)c(Cl)c2-c2c(F)cccc2F)c1.
What is the InChIKey of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is RIRAZTWKGQXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O3/c1-24-19(25)17(20)16(15-13(21)5-4-6-14(15)22)18(23-24)10-7-11(26-2)9-12(8-10)27-3/h4-9H,1-3H3.
What are the key properties of 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one?
4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 392.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 165389177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).