3-(3,4-dichlorophenyl)-6-methoxypyridazine

C11H8Cl2N2O — CID 12833133

IUPAC3-(3,4-dichlorophenyl)-6-methoxypyridazine
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C11H8Cl2N2O/c1-16-11-5-4-10(14-15-11)7-2-3-8(12)9(13)6-7/h2-6H,1H3
InChIKeyYCIWEJWDDLSBRD-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-6-methoxypyridazine

3-(3,4-dichlorophenyl)-6-methoxypyridazine (PubChem CID 12833133) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-methoxypyridazine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-methoxypyridazine
PubChem CID12833133
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name3-(3,4-dichlorophenyl)-6-methoxypyridazine
SMILESCOc1ccc(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C11H8Cl2N2O/c1-16-11-5-4-10(14-15-11)7-2-3-8(12)9(13)6-7/h2-6H,1H3
InChIKeyYCIWEJWDDLSBRD-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-methoxypyridazine?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-methoxypyridazine (CID 12833133) is 3-(3,4-dichlorophenyl)-6-methoxypyridazine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-methoxypyridazine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-methoxypyridazine is COc1ccc(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-methoxypyridazine?
The InChIKey is YCIWEJWDDLSBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-16-11-5-4-10(14-15-11)7-2-3-8(12)9(13)6-7/h2-6H,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-6-methoxypyridazine?
3-(3,4-dichlorophenyl)-6-methoxypyridazine has a molecular weight of 255.10 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-methoxypyridazine is sourced from PubChem (CID 12833133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).