4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid

C12H10N2O2 — CID 139432787

IUPAC4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C12H10N2O2/c15-12(16)8-3-4-10-7(5-8)1-2-9-6-13-14-11(9)10/h3-6H,1-2H2,(H,13,14)(H,15,16)
InChIKeyFPBNVHWUTGLIRT-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.87
Rot. Bonds1

About 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid

4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid (PubChem CID 139432787) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
PubChem CID139432787
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C12H10N2O2/c15-12(16)8-3-4-10-7(5-8)1-2-9-6-13-14-11(9)10/h3-6H,1-2H2,(H,13,14)(H,15,16)
InChIKeyFPBNVHWUTGLIRT-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid?
The IUPAC name of 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid (CID 139432787) is 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid.
What is the SMILES notation for 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid?
The canonical SMILES for 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid is O=C(O)c1ccc2c(c1)CCc1cn[nH]c1-2.
What is the InChIKey of 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid?
The InChIKey is FPBNVHWUTGLIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(16)8-3-4-10-7(5-8)1-2-9-6-13-14-11(9)10/h3-6H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid?
4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid is sourced from PubChem (CID 139432787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).