1H-phthalazine-2-carboxylic acid

C9H8N2O2 — CID 23055954

IUPAC1H-phthalazine-2-carboxylic acid
SMILESO=C(O)N1Cc2ccccc2C=N1
InChIInChI=1S/C9H8N2O2/c12-9(13)11-6-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13)
InChIKeyAHYVBHNAYQEUKX-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.51
Rot. Bonds

About 1H-phthalazine-2-carboxylic acid

1H-phthalazine-2-carboxylic acid (PubChem CID 23055954) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 1H-phthalazine-2-carboxylic acid.

Molecular Properties

Compound Name1H-phthalazine-2-carboxylic acid
PubChem CID23055954
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name1H-phthalazine-2-carboxylic acid
SMILESO=C(O)N1Cc2ccccc2C=N1
InChIInChI=1S/C9H8N2O2/c12-9(13)11-6-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13)
InChIKeyAHYVBHNAYQEUKX-UHFFFAOYSA-N
XLogP1.51
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-phthalazine-2-carboxylic acid?
The IUPAC name of 1H-phthalazine-2-carboxylic acid (CID 23055954) is 1H-phthalazine-2-carboxylic acid.
What is the SMILES notation for 1H-phthalazine-2-carboxylic acid?
The canonical SMILES for 1H-phthalazine-2-carboxylic acid is O=C(O)N1Cc2ccccc2C=N1.
What is the InChIKey of 1H-phthalazine-2-carboxylic acid?
The InChIKey is AHYVBHNAYQEUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)11-6-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13).
What are the key properties of 1H-phthalazine-2-carboxylic acid?
1H-phthalazine-2-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-phthalazine-2-carboxylic acid is sourced from PubChem (CID 23055954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).