3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine

C18H12ClF3N2O2 — CID 86665914

IUPAC3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1cc(OC)cc(-c2cnnc(Cl)c2-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C18H12ClF3N2O2/c1-25-11-3-9(4-12(7-11)26-2)13-8-23-24-18(19)16(13)17-14(21)5-10(20)6-15(17)22/h3-8H,1-2H3
InChIKeyKAJOABOVSNXVCU-UHFFFAOYSA-N
MW380.75 g/mol
LogP4.90
Rot. Bonds4

About 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine

3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 86665914) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine
PubChem CID86665914
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine
SMILESCOc1cc(OC)cc(-c2cnnc(Cl)c2-c2c(F)cc(F)cc2F)c1
InChIInChI=1S/C18H12ClF3N2O2/c1-25-11-3-9(4-12(7-11)26-2)13-8-23-24-18(19)16(13)17-14(21)5-10(20)6-15(17)22/h3-8H,1-2H3
InChIKeyKAJOABOVSNXVCU-UHFFFAOYSA-N
XLogP4.90
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine (CID 86665914) is 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine is COc1cc(OC)cc(-c2cnnc(Cl)c2-c2c(F)cc(F)cc2F)c1.
What is the InChIKey of 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is KAJOABOVSNXVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c1-25-11-3-9(4-12(7-11)26-2)13-8-23-24-18(19)16(13)17-14(21)5-10(20)6-15(17)22/h3-8H,1-2H3.
What are the key properties of 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine?
3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 380.75 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,5-dimethoxyphenyl)-4-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 86665914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).