2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid

C13H10N2O5 — CID 10061871

IUPAC2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)cc(C(=O)O)c1=O
InChIInChI=1S/C13H10N2O5/c16-11(17)7-15-12(18)9(13(19)20)6-10(14-15)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H,19,20)
InChIKeyVAWCNEPDYWOVBW-UHFFFAOYSA-N
MW274.23 g/mol
LogP0.69
Rot. Bonds4

About 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid

2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid (PubChem CID 10061871) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
PubChem CID10061871
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)cc(C(=O)O)c1=O
InChIInChI=1S/C13H10N2O5/c16-11(17)7-15-12(18)9(13(19)20)6-10(14-15)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H,19,20)
InChIKeyVAWCNEPDYWOVBW-UHFFFAOYSA-N
XLogP0.69
TPSA109.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid
CID 10244792
2-[5-(benzylamino)-6-oxo-3-phenylpyridazin-1-yl]acetic acid
CID 10854253
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
2-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]acetic acid
CID 56770636
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
4-[1-(carboxymethyl)-5-[4-[1-(carboxymethyl)-3-(4-carboxyphenyl)pyrazol-5-yl]phenyl]pyrazol-3-yl]benzoic acid
CID 71231192
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-butyl-3-oxo-6-phenylpyridazine-4-carbothioamide
CID 82447022

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid (CID 10061871) is 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid is O=C(O)Cn1nc(-c2ccccc2)cc(C(=O)O)c1=O.
What is the InChIKey of 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid?
The InChIKey is VAWCNEPDYWOVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-11(17)7-15-12(18)9(13(19)20)6-10(14-15)8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H,19,20).
What are the key properties of 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid?
2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid is sourced from PubChem (CID 10061871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).