3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine

C12H7Cl3N2O — CID 134116481

IUPAC3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
SMILESClC(Cl)=Cc1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H7Cl3N2O/c13-10(14)7-8-1-3-9(4-2-8)18-12-6-5-11(15)16-17-12/h1-7H
InChIKeyOQFBUFUPSJMBSR-UHFFFAOYSA-N
MW301.56 g/mol
LogP4.70
Rot. Bonds3

About 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine

3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine (PubChem CID 134116481) has the molecular formula C12H7Cl3N2O and a molecular weight of 301.56 g/mol. Its IUPAC name is 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
PubChem CID134116481
Molecular FormulaC12H7Cl3N2O
Molecular Weight301.56 g/mol
Exact Mass299.96
IUPAC Name3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
SMILESClC(Cl)=Cc1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C12H7Cl3N2O/c13-10(14)7-8-1-3-9(4-2-8)18-12-6-5-11(15)16-17-12/h1-7H
InChIKeyOQFBUFUPSJMBSR-UHFFFAOYSA-N
XLogP4.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 175426620
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-phenylprop-2-en-1-one
CID 175426617
3-(6-chloropyridazin-3-yl)oxybenzaldehyde
CID 50878106
(E)-3-(4-chlorophenyl)-3-[4-(6-chloropyridazin-3-yl)oxyphenyl]prop-2-enal
CID 168875532
3-chloro-6-(4-propoxyphenoxy)pyridazine
CID 60674904
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13050847
[[3-(6-chloropyridazin-3-yl)oxyphenyl]methylideneamino]thiourea
CID 168535565
3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
CID 87574590
3-chloro-6-[4-chloro-3-(trifluoromethyl)phenoxy]pyridazine
CID 154125386
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-6-chloropyridazine
CID 102714042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine?
The IUPAC name of 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine (CID 134116481) is 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine is ClC(Cl)=Cc1ccc(Oc2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine?
The InChIKey is OQFBUFUPSJMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O/c13-10(14)7-8-1-3-9(4-2-8)18-12-6-5-11(15)16-17-12/h1-7H.
What are the key properties of 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine?
3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine has a molecular weight of 301.56 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine is sourced from PubChem (CID 134116481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).