2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid

C13H9ClN2O5 — CID 10244792

IUPAC2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid
SMILESO=C(O)Cn1nc(-c2ccc(Cl)cc2)cc(C(=O)O)c1=O
InChIInChI=1S/C13H9ClN2O5/c14-8-3-1-7(2-4-8)10-5-9(13(20)21)12(19)16(15-10)6-11(17)18/h1-5H,6H2,(H,17,18)(H,20,21)
InChIKeyAPNGEGFMAOUQMA-UHFFFAOYSA-N
MW308.68 g/mol
LogP1.35
Rot. Bonds4

About 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid

2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid (PubChem CID 10244792) has the molecular formula C13H9ClN2O5 and a molecular weight of 308.68 g/mol. Its IUPAC name is 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid
PubChem CID10244792
Molecular FormulaC13H9ClN2O5
Molecular Weight308.68 g/mol
Exact Mass308.02
IUPAC Name2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid
SMILESO=C(O)Cn1nc(-c2ccc(Cl)cc2)cc(C(=O)O)c1=O
InChIInChI=1S/C13H9ClN2O5/c14-8-3-1-7(2-4-8)10-5-9(13(20)21)12(19)16(15-10)6-11(17)18/h1-5H,6H2,(H,17,18)(H,20,21)
InChIKeyAPNGEGFMAOUQMA-UHFFFAOYSA-N
XLogP1.35
TPSA109.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.68
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carboxymethyl)-3-oxo-6-phenylpyridazine-4-carboxylic acid
CID 10061871
2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid
CID 55170882
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793
4-[1-(carboxymethyl)-5-[4-[1-(carboxymethyl)-3-(4-carboxyphenyl)pyrazol-5-yl]phenyl]pyrazol-3-yl]benzoic acid
CID 71231192
2-[(2,6-dichlorophenyl)methyl]-6-(4-fluoro-3-methylphenyl)-3-oxopyridazine-4-carboxylic acid
CID 22562272
6-(4-chlorophenyl)-2-ethyl-4-(hydroxymethyl)pyridazin-3-one
CID 82444930
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
(2R)-2-[[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 95196545

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid (CID 10244792) is 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid is O=C(O)Cn1nc(-c2ccc(Cl)cc2)cc(C(=O)O)c1=O.
What is the InChIKey of 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid?
The InChIKey is APNGEGFMAOUQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O5/c14-8-3-1-7(2-4-8)10-5-9(13(20)21)12(19)16(15-10)6-11(17)18/h1-5H,6H2,(H,17,18)(H,20,21).
What are the key properties of 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid?
2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid has a molecular weight of 308.68 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-6-(4-chlorophenyl)-3-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 10244792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).