6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid

C15H9N3O6 — CID 90824755

IUPAC6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid
SMILESO=C(O)c1nn(C(=O)O)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C15H9N3O6/c19-14(20)13-11-6-3-9(7-12(11)17(16-13)15(21)22)8-1-4-10(5-2-8)18(23)24/h1-7H,(H,19,20)(H,21,22)
InChIKeyZNBAMKJXGCVDGH-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.84
Rot. Bonds3

About 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid

6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid (PubChem CID 90824755) has the molecular formula C15H9N3O6 and a molecular weight of 327.25 g/mol. Its IUPAC name is 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid.

Molecular Properties

Compound Name6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid
PubChem CID90824755
Molecular FormulaC15H9N3O6
Molecular Weight327.25 g/mol
Exact Mass327.05
IUPAC Name6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid
SMILESO=C(O)c1nn(C(=O)O)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12
InChIInChI=1S/C15H9N3O6/c19-14(20)13-11-6-3-9(7-12(11)17(16-13)15(21)22)8-1-4-10(5-2-8)18(23)24/h1-7H,(H,19,20)(H,21,22)
InChIKeyZNBAMKJXGCVDGH-UHFFFAOYSA-N
XLogP2.84
TPSA135.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrobenzoyl)indazole-3-carboxylic acid
CID 152737808
3-iodo-5-nitroindazole-1-carboxylic acid
CID 68674037
2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
4-(4-nitrophenyl)thiophene-2-carboxylic acid
CID 23063734
5-(4-nitrophenyl)-1-prop-2-enyltriazole-4-carboxylic acid
CID 82204453
5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylic acid
CID 2771356
methyl 1-benzoyl-5-nitroindazole-3-carboxylate
CID 71818688
1-nitro-4-phenylbenzene;sulfurochloridic acid
CID 23180093
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
5-amino-1-(4-nitrophenyl)triazole-4-carboxylic acid
CID 66524061
tert-butyl 3-chloro-6-nitroindazole-1-carboxylate
CID 18373242

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid?
The IUPAC name of 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid (CID 90824755) is 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid.
What is the SMILES notation for 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid?
The canonical SMILES for 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid is O=C(O)c1nn(C(=O)O)c2cc(-c3ccc([N+](=O)[O-])cc3)ccc12.
What is the InChIKey of 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid?
The InChIKey is ZNBAMKJXGCVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O6/c19-14(20)13-11-6-3-9(7-12(11)17(16-13)15(21)22)8-1-4-10(5-2-8)18(23)24/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid?
6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid has a molecular weight of 327.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitrophenyl)indazole-1,3-dicarboxylic acid is sourced from PubChem (CID 90824755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).