3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine

C16H6Cl3F3N2 — CID 87542512

IUPAC3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine
SMILESFc1cc(F)c(-c2c(Cl)nnc(Cl)c2-c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C16H6Cl3F3N2/c17-8-3-1-2-7(4-8)12-14(16(19)24-23-15(12)18)13-10(21)5-9(20)6-11(13)22/h1-6H
InChIKeyJULLQAJJINOXQI-UHFFFAOYSA-N
MW389.59 g/mol
LogP6.19
Rot. Bonds2

About 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine

3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 87542512) has the molecular formula C16H6Cl3F3N2 and a molecular weight of 389.59 g/mol. Its IUPAC name is 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine
PubChem CID87542512
Molecular FormulaC16H6Cl3F3N2
Molecular Weight389.59 g/mol
Exact Mass387.95
IUPAC Name3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine
SMILESFc1cc(F)c(-c2c(Cl)nnc(Cl)c2-c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C16H6Cl3F3N2/c17-8-3-1-2-7(4-8)12-14(16(19)24-23-15(12)18)13-10(21)5-9(20)6-11(13)22/h1-6H
InChIKeyJULLQAJJINOXQI-UHFFFAOYSA-N
XLogP6.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.59
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463017
3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 87511389
3-chloro-5-(5-chlorothiophen-2-yl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 70689544
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
3-chloro-5-[4-(cyclopropylmethyl)phenyl]-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 87511570
4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 79441038
1,3,5-trifluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 119010297
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
5-(3-chlorophenyl)-4-(2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 64558550

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine (CID 87542512) is 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine is Fc1cc(F)c(-c2c(Cl)nnc(Cl)c2-c2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is JULLQAJJINOXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6Cl3F3N2/c17-8-3-1-2-7(4-8)12-14(16(19)24-23-15(12)18)13-10(21)5-9(20)6-11(13)22/h1-6H.
What are the key properties of 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine?
3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 389.59 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(3-chlorophenyl)-5-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 87542512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).