5-phenylpyridazine-3,4-dicarboxylic acid

C12H8N2O4 — CID 121011282

IUPAC5-phenylpyridazine-3,4-dicarboxylic acid
SMILESO=C(O)c1nncc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)9-8(7-4-2-1-3-5-7)6-13-14-10(9)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyHJBVWZPAMAHCKI-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.54
Rot. Bonds3

About 5-phenylpyridazine-3,4-dicarboxylic acid

5-phenylpyridazine-3,4-dicarboxylic acid (PubChem CID 121011282) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-phenylpyridazine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name5-phenylpyridazine-3,4-dicarboxylic acid
PubChem CID121011282
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name5-phenylpyridazine-3,4-dicarboxylic acid
SMILESO=C(O)c1nncc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H8N2O4/c15-11(16)9-8(7-4-2-1-3-5-7)6-13-14-10(9)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyHJBVWZPAMAHCKI-UHFFFAOYSA-N
XLogP1.54
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diphenylpyridine-2,3-dicarboxylic acid
CID 151906058
6-oxo-4-phenyl-1H-pyridazine-5-carboxylic acid
CID 39202461
3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
CID 82036502
3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid
CID 117127520
3-hydroxy-2-methyl-5-phenylpyridine-4-carboxylic acid
CID 82391092
3-phenylpyridine-2-carboxylic acid
CID 2762789
5-(4-fluorophenyl)-3-methoxypyridazine-4-carboxylic acid
CID 117127348
6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid
CID 117127494
5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 139991262
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749

Frequently Asked Questions

What is the IUPAC name of 5-phenylpyridazine-3,4-dicarboxylic acid?
The IUPAC name of 5-phenylpyridazine-3,4-dicarboxylic acid (CID 121011282) is 5-phenylpyridazine-3,4-dicarboxylic acid.
What is the SMILES notation for 5-phenylpyridazine-3,4-dicarboxylic acid?
The canonical SMILES for 5-phenylpyridazine-3,4-dicarboxylic acid is O=C(O)c1nncc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-phenylpyridazine-3,4-dicarboxylic acid?
The InChIKey is HJBVWZPAMAHCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-11(16)9-8(7-4-2-1-3-5-7)6-13-14-10(9)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 5-phenylpyridazine-3,4-dicarboxylic acid?
5-phenylpyridazine-3,4-dicarboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyridazine-3,4-dicarboxylic acid is sourced from PubChem (CID 121011282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).