6-cyano-1H-indazole-3-carboxylic acid

C9H5N3O2 — CID 10773921

IUPAC6-cyano-1H-indazole-3-carboxylic acid
SMILESN#Cc1ccc2c(C(=O)O)n[nH]c2c1
InChIInChI=1S/C9H5N3O2/c10-4-5-1-2-6-7(3-5)11-12-8(6)9(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKeyVVBNYLSPDQSTIM-UHFFFAOYSA-N
MW187.16 g/mol
LogP1.13
Rot. Bonds1

About 6-cyano-1H-indazole-3-carboxylic acid

6-cyano-1H-indazole-3-carboxylic acid (PubChem CID 10773921) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 6-cyano-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-1H-indazole-3-carboxylic acid
PubChem CID10773921
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name6-cyano-1H-indazole-3-carboxylic acid
SMILESN#Cc1ccc2c(C(=O)O)n[nH]c2c1
InChIInChI=1S/C9H5N3O2/c10-4-5-1-2-6-7(3-5)11-12-8(6)9(13)14/h1-3H,(H,11,12)(H,13,14)
InChIKeyVVBNYLSPDQSTIM-UHFFFAOYSA-N
XLogP1.13
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Indazole-3-carboxylic acid
CID 78250
Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
5-phenethyl-1H-pyrazole-3-carboxylic Acid
CID 11830866
3-benzyl-1H-pyrazole-5-carboxylic acid
CID 11041813
methyl 1H-indazole-3-carboxylate
CID 657476
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
3-(4-Fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 940540
5-(2,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid
CID 4274816
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 4598704
5-(4-tert-butylphenyl)-1H-pyrazole-3-carboxylic acid
CID 3350092
4-(1H-indazol-3-yl)benzoic acid
CID 68765349
MEK4-IN-6ff
CID 155410731

Frequently Asked Questions

What is the IUPAC name of 6-cyano-1H-indazole-3-carboxylic acid?
The IUPAC name of 6-cyano-1H-indazole-3-carboxylic acid (CID 10773921) is 6-cyano-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 6-cyano-1H-indazole-3-carboxylic acid?
The canonical SMILES for 6-cyano-1H-indazole-3-carboxylic acid is N#Cc1ccc2c(C(=O)O)n[nH]c2c1.
What is the InChIKey of 6-cyano-1H-indazole-3-carboxylic acid?
The InChIKey is VVBNYLSPDQSTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-4-5-1-2-6-7(3-5)11-12-8(6)9(13)14/h1-3H,(H,11,12)(H,13,14).
What are the key properties of 6-cyano-1H-indazole-3-carboxylic acid?
6-cyano-1H-indazole-3-carboxylic acid has a molecular weight of 187.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 10773921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).