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

C17H13ClN2O — CID 11460682

IUPAC6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine
SMILESCOc1ccc(-c2cc(Cl)nnc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O/c1-21-14-9-7-12(8-10-14)15-11-16(18)19-20-17(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPLRYZDRZMIBANI-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.47
Rot. Bonds3

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

6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine (PubChem CID 11460682) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine.

Molecular Properties

Compound Name6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine
PubChem CID11460682
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine
SMILESCOc1ccc(-c2cc(Cl)nnc2-c2ccccc2)cc1
InChIInChI=1S/C17H13ClN2O/c1-21-14-9-7-12(8-10-14)15-11-16(18)19-20-17(15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPLRYZDRZMIBANI-UHFFFAOYSA-N
XLogP4.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.47
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-phenylpyridazine?
The IUPAC name of 6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine (CID 11460682) is 6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine.
What is the SMILES notation for 6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine?
The canonical SMILES for 6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine is COc1ccc(-c2cc(Cl)nnc2-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine?
The InChIKey is PLRYZDRZMIBANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-21-14-9-7-12(8-10-14)15-11-16(18)19-20-17(15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine?
6-chloro-4-(4-methoxyphenyl)-3-phenylpyridazine has a molecular weight of 296.76 g/mol, XLogP of 4.47, 3 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-phenylpyridazine is sourced from PubChem (CID 11460682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).