6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine

C12H11ClN2O — CID 10585807

IUPAC6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine
SMILESCOc1ccc(-c2cc(Cl)nnc2C)cc1
InChIInChI=1S/C12H11ClN2O/c1-8-11(7-12(13)15-14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3
InChIKeyXHYYBIZOWRBMLZ-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.11
Rot. Bonds2

About 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine

6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine (PubChem CID 10585807) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine.

Molecular Properties

Compound Name6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine
PubChem CID10585807
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine
SMILESCOc1ccc(-c2cc(Cl)nnc2C)cc1
InChIInChI=1S/C12H11ClN2O/c1-8-11(7-12(13)15-14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3
InChIKeyXHYYBIZOWRBMLZ-UHFFFAOYSA-N
XLogP3.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine?
The IUPAC name of 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine (CID 10585807) is 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine.
What is the SMILES notation for 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine?
The canonical SMILES for 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine is COc1ccc(-c2cc(Cl)nnc2C)cc1.
What is the InChIKey of 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine?
The InChIKey is XHYYBIZOWRBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-11(7-12(13)15-14-8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine?
6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine has a molecular weight of 234.69 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-methoxyphenyl)-3-methylpyridazine is sourced from PubChem (CID 10585807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).