pyrrolo[2,1-a]phthalazine-7-carboxylic acid

C12H8N2O2 — CID 135290107

IUPACpyrrolo[2,1-a]phthalazine-7-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn1cccc21
InChIInChI=1S/C12H8N2O2/c15-12(16)9-4-1-3-8-10(9)7-13-14-6-2-5-11(8)14/h1-7H,(H,15,16)
InChIKeyICTZCFMACKLTLY-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.19
Rot. Bonds1

About pyrrolo[2,1-a]phthalazine-7-carboxylic acid

pyrrolo[2,1-a]phthalazine-7-carboxylic acid (PubChem CID 135290107) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is pyrrolo[2,1-a]phthalazine-7-carboxylic acid.

Molecular Properties

Compound Namepyrrolo[2,1-a]phthalazine-7-carboxylic acid
PubChem CID135290107
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Namepyrrolo[2,1-a]phthalazine-7-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn1cccc21
InChIInChI=1S/C12H8N2O2/c15-12(16)9-4-1-3-8-10(9)7-13-14-6-2-5-11(8)14/h1-7H,(H,15,16)
InChIKeyICTZCFMACKLTLY-UHFFFAOYSA-N
XLogP2.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 146457225
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212449
4-pyrazolo[1,5-a]pyridin-3-ylpyridine-3-carboxylic acid
CID 82388438
1-aminoindole-4-carboxylic acid
CID 141215789
4-(chloromethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 71699701
N-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 46882438
1-tert-butylindole-4-carboxylic acid
CID 68840218
5-fluoropyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680695
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 20875663

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-a]phthalazine-7-carboxylic acid?
The IUPAC name of pyrrolo[2,1-a]phthalazine-7-carboxylic acid (CID 135290107) is pyrrolo[2,1-a]phthalazine-7-carboxylic acid.
What is the SMILES notation for pyrrolo[2,1-a]phthalazine-7-carboxylic acid?
The canonical SMILES for pyrrolo[2,1-a]phthalazine-7-carboxylic acid is O=C(O)c1cccc2c1cnn1cccc21.
What is the InChIKey of pyrrolo[2,1-a]phthalazine-7-carboxylic acid?
The InChIKey is ICTZCFMACKLTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12(16)9-4-1-3-8-10(9)7-13-14-6-2-5-11(8)14/h1-7H,(H,15,16).
What are the key properties of pyrrolo[2,1-a]phthalazine-7-carboxylic acid?
pyrrolo[2,1-a]phthalazine-7-carboxylic acid has a molecular weight of 212.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-a]phthalazine-7-carboxylic acid is sourced from PubChem (CID 135290107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).