7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid

C15H11ClN2O2 — CID 21162316

IUPAC7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid
SMILESClC1c2ccccc21.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H6N2O2.C7H5Cl/c11-8(12)7-5-3-1-2-4-6(5)9-10-7;8-7-5-3-1-2-4-6(5)7/h1-4H,(H,9,10)(H,11,12);1-4,7H
InChIKeyZRRVTYITOQOQKT-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.59
Rot. Bonds1

About 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid

7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid (PubChem CID 21162316) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid
PubChem CID21162316
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid
SMILESClC1c2ccccc21.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C8H6N2O2.C7H5Cl/c11-8(12)7-5-3-1-2-4-6(5)9-10-7;8-7-5-3-1-2-4-6(5)7/h1-4H,(H,9,10)(H,11,12);1-4,7H
InChIKeyZRRVTYITOQOQKT-UHFFFAOYSA-N
XLogP3.59
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1H-indazol-3-yl)ethanone
CID 15684169
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
1H-indazol-3-yl(pyrazolidin-1-yl)methanone
CID 170858238
2-(1H-indazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 126799296
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
N'-(cyclopropanecarbonyl)-1H-indazole-3-carbohydrazide
CID 26799017
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide
CID 70003465
5-(1H-indazole-3-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481950
6-(1H-indazole-3-carbonylamino)pyridine-2-carboxylic acid
CID 63643067

Frequently Asked Questions

What is the IUPAC name of 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid?
The IUPAC name of 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid (CID 21162316) is 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid.
What is the SMILES notation for 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid?
The canonical SMILES for 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid is ClC1c2ccccc21.O=C(O)c1n[nH]c2ccccc12.
What is the InChIKey of 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid?
The InChIKey is ZRRVTYITOQOQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C7H5Cl/c11-8(12)7-5-3-1-2-4-6(5)9-10-7;8-7-5-3-1-2-4-6(5)7/h1-4H,(H,9,10)(H,11,12);1-4,7H.
What are the key properties of 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid?
7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid is sourced from PubChem (CID 21162316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).