4H-pyrido[2,1-a]phthalazine-8-carboxylic acid

C13H10N2O2 — CID 135290327

IUPAC4H-pyrido[2,1-a]phthalazine-8-carboxylic acid
SMILESO=C(O)c1cccc2c1C=NN1CC=CC=C21
InChIInChI=1S/C13H10N2O2/c16-13(17)10-5-3-4-9-11(10)8-14-15-7-2-1-6-12(9)15/h1-6,8H,7H2,(H,16,17)
InChIKeyOILMXPRFHVSRFZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.95
Rot. Bonds1

About 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid

4H-pyrido[2,1-a]phthalazine-8-carboxylic acid (PubChem CID 135290327) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid.

Molecular Properties

Compound Name4H-pyrido[2,1-a]phthalazine-8-carboxylic acid
PubChem CID135290327
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4H-pyrido[2,1-a]phthalazine-8-carboxylic acid
SMILESO=C(O)c1cccc2c1C=NN1CC=CC=C21
InChIInChI=1S/C13H10N2O2/c16-13(17)10-5-3-4-9-11(10)8-14-15-7-2-1-6-12(9)15/h1-6,8H,7H2,(H,16,17)
InChIKeyOILMXPRFHVSRFZ-UHFFFAOYSA-N
XLogP1.95
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid?
The IUPAC name of 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid (CID 135290327) is 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid.
What is the SMILES notation for 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid?
The canonical SMILES for 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid is O=C(O)c1cccc2c1C=NN1CC=CC=C21.
What is the InChIKey of 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid?
The InChIKey is OILMXPRFHVSRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)10-5-3-4-9-11(10)8-14-15-7-2-1-6-12(9)15/h1-6,8H,7H2,(H,16,17).
What are the key properties of 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid?
4H-pyrido[2,1-a]phthalazine-8-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[2,1-a]phthalazine-8-carboxylic acid is sourced from PubChem (CID 135290327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).