1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid

C15H8Cl2N2O3 — CID 58796752

IUPAC1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C15H8Cl2N2O3/c16-8-5-6-9(11(17)7-8)14(20)19-12-4-2-1-3-10(12)13(18-19)15(21)22/h1-7H,(H,21,22)
InChIKeyZAISXDRQBRKKER-UHFFFAOYSA-N
MW335.15 g/mol
LogP3.73
Rot. Bonds2

About 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid

1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid (PubChem CID 58796752) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid
PubChem CID58796752
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C15H8Cl2N2O3/c16-8-5-6-9(11(17)7-8)14(20)19-12-4-2-1-3-10(12)13(18-19)15(21)22/h1-7H,(H,21,22)
InChIKeyZAISXDRQBRKKER-UHFFFAOYSA-N
XLogP3.73
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid?
The IUPAC name of 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid (CID 58796752) is 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid is O=C(O)c1nn(C(=O)c2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid?
The InChIKey is ZAISXDRQBRKKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-8-5-6-9(11(17)7-8)14(20)19-12-4-2-1-3-10(12)13(18-19)15(21)22/h1-7H,(H,21,22).
What are the key properties of 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid?
1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid has a molecular weight of 335.15 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)indazole-3-carboxylic acid is sourced from PubChem (CID 58796752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).