2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid

C14H10N2O5 — CID 10541174

IUPAC2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid
SMILESO=C(O)Cn1nc2c(c(C(=O)O)c1=O)Cc1ccccc1-2
InChIInChI=1S/C14H10N2O5/c17-10(18)6-16-13(19)11(14(20)21)9-5-7-3-1-2-4-8(7)12(9)15-16/h1-4H,5-6H2,(H,17,18)(H,20,21)
InChIKeyQVTXBBVXWUUCFC-UHFFFAOYSA-N
MW286.24 g/mol
LogP0.60
Rot. Bonds3

About 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid

2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid (PubChem CID 10541174) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid
PubChem CID10541174
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid
SMILESO=C(O)Cn1nc2c(c(C(=O)O)c1=O)Cc1ccccc1-2
InChIInChI=1S/C14H10N2O5/c17-10(18)6-16-13(19)11(14(20)21)9-5-7-3-1-2-4-8(7)12(9)15-16/h1-4H,5-6H2,(H,17,18)(H,20,21)
InChIKeyQVTXBBVXWUUCFC-UHFFFAOYSA-N
XLogP0.60
TPSA109.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid?
The IUPAC name of 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid (CID 10541174) is 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid is O=C(O)Cn1nc2c(c(C(=O)O)c1=O)Cc1ccccc1-2.
What is the InChIKey of 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid?
The InChIKey is QVTXBBVXWUUCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c17-10(18)6-16-13(19)11(14(20)21)9-5-7-3-1-2-4-8(7)12(9)15-16/h1-4H,5-6H2,(H,17,18)(H,20,21).
What are the key properties of 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid?
2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-3-oxo-5H-indeno[1,2-c]pyridazine-4-carboxylic acid is sourced from PubChem (CID 10541174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).