phthalazine-6,7-dicarboxylic acid

C10H6N2O4 — CID 13115751

IUPACphthalazine-6,7-dicarboxylic acid
SMILESO=C(O)c1cc2cnncc2cc1C(=O)O
InChIInChI=1S/C10H6N2O4/c13-9(14)7-1-5-3-11-12-4-6(5)2-8(7)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyBTXCCTATPJEJQA-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.03
Rot. Bonds2

About phthalazine-6,7-dicarboxylic acid

phthalazine-6,7-dicarboxylic acid (PubChem CID 13115751) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is phthalazine-6,7-dicarboxylic acid.

Molecular Properties

Compound Namephthalazine-6,7-dicarboxylic acid
PubChem CID13115751
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Namephthalazine-6,7-dicarboxylic acid
SMILESO=C(O)c1cc2cnncc2cc1C(=O)O
InChIInChI=1S/C10H6N2O4/c13-9(14)7-1-5-3-11-12-4-6(5)2-8(7)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyBTXCCTATPJEJQA-UHFFFAOYSA-N
XLogP1.03
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phthalazine-6,7-dicarboxylic acid?
The IUPAC name of phthalazine-6,7-dicarboxylic acid (CID 13115751) is phthalazine-6,7-dicarboxylic acid.
What is the SMILES notation for phthalazine-6,7-dicarboxylic acid?
The canonical SMILES for phthalazine-6,7-dicarboxylic acid is O=C(O)c1cc2cnncc2cc1C(=O)O.
What is the InChIKey of phthalazine-6,7-dicarboxylic acid?
The InChIKey is BTXCCTATPJEJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-9(14)7-1-5-3-11-12-4-6(5)2-8(7)10(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of phthalazine-6,7-dicarboxylic acid?
phthalazine-6,7-dicarboxylic acid has a molecular weight of 218.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phthalazine-6,7-dicarboxylic acid is sourced from PubChem (CID 13115751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).