dimethyl 4-phenylpyridazine-3,6-dicarboxylate

C14H12N2O4 — CID 14744314

IUPACdimethyl 4-phenylpyridazine-3,6-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC)nn1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)11-8-10(9-6-4-3-5-7-9)12(16-15-11)14(18)20-2/h3-8H,1-2H3
InChIKeyKHUCKSJRPBKMDE-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.72
Rot. Bonds3

About dimethyl 4-phenylpyridazine-3,6-dicarboxylate

dimethyl 4-phenylpyridazine-3,6-dicarboxylate (PubChem CID 14744314) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is dimethyl 4-phenylpyridazine-3,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-phenylpyridazine-3,6-dicarboxylate
PubChem CID14744314
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namedimethyl 4-phenylpyridazine-3,6-dicarboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(C(=O)OC)nn1
InChIInChI=1S/C14H12N2O4/c1-19-13(17)11-8-10(9-6-4-3-5-7-9)12(16-15-11)14(18)20-2/h3-8H,1-2H3
InChIKeyKHUCKSJRPBKMDE-UHFFFAOYSA-N
XLogP1.72
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-phenylpyridazine-3,6-dicarboxylate?
The IUPAC name of dimethyl 4-phenylpyridazine-3,6-dicarboxylate (CID 14744314) is dimethyl 4-phenylpyridazine-3,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-phenylpyridazine-3,6-dicarboxylate?
The canonical SMILES for dimethyl 4-phenylpyridazine-3,6-dicarboxylate is COC(=O)c1cc(-c2ccccc2)c(C(=O)OC)nn1.
What is the InChIKey of dimethyl 4-phenylpyridazine-3,6-dicarboxylate?
The InChIKey is KHUCKSJRPBKMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-19-13(17)11-8-10(9-6-4-3-5-7-9)12(16-15-11)14(18)20-2/h3-8H,1-2H3.
What are the key properties of dimethyl 4-phenylpyridazine-3,6-dicarboxylate?
dimethyl 4-phenylpyridazine-3,6-dicarboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-phenylpyridazine-3,6-dicarboxylate is sourced from PubChem (CID 14744314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).