3-bromo-2H-indazole-7-carboxylic acid

C8H5BrN2O2 — CID 44585511

IUPAC3-bromo-2H-indazole-7-carboxylic acid
SMILESO=C(O)c1cccc2c(Br)[nH]nc12
InChIInChI=1S/C8H5BrN2O2/c9-7-4-2-1-3-5(8(12)13)6(4)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKeySHOGUOJFKMABOH-UHFFFAOYSA-N
MW241.04 g/mol
LogP2.02
Rot. Bonds1

About 3-bromo-2H-indazole-7-carboxylic acid

3-bromo-2H-indazole-7-carboxylic acid (PubChem CID 44585511) has the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol. Its IUPAC name is 3-bromo-2H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2H-indazole-7-carboxylic acid
PubChem CID44585511
Molecular FormulaC8H5BrN2O2
Molecular Weight241.04 g/mol
Exact Mass239.95
IUPAC Name3-bromo-2H-indazole-7-carboxylic acid
SMILESO=C(O)c1cccc2c(Br)[nH]nc12
InChIInChI=1S/C8H5BrN2O2/c9-7-4-2-1-3-5(8(12)13)6(4)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKeySHOGUOJFKMABOH-UHFFFAOYSA-N
XLogP2.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.04
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indazole-7-carboxylic acid
CID 12639205
3-bromo-1H-indazole-6-carboxylic acid
CID 19867566
3-Bromo-1H-indazole-5-carboxylic acid
CID 24728202
3-iodo-1H-indazole-5-carboxylic acid
CID 24728200
methyl 5-bromo-1H-indazole-7-carboxylate
CID 24728927
Methyl 3-iodo-1H-indazole-7-carboxylate
CID 24729392
7-bromo-1H-indazole-3-carboxylic acid
CID 34176086
Methyl 3-bromo-1H-indazole-5-carboxylate
CID 45790261
6-amino-5-methyl-2H-indazole-7-carboxylic acid
CID 46855718
5-methyl-1H-indazole-7-carboxylic acid
CID 47002910
1H-Indazole-7-carboxylic acid, 3-bromo-, methyl ester
CID 53395595
3-methyl-1H-indazole-5-carboxylic acid
CID 59694489

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2H-indazole-7-carboxylic acid?
The IUPAC name of 3-bromo-2H-indazole-7-carboxylic acid (CID 44585511) is 3-bromo-2H-indazole-7-carboxylic acid.
What is the SMILES notation for 3-bromo-2H-indazole-7-carboxylic acid?
The canonical SMILES for 3-bromo-2H-indazole-7-carboxylic acid is O=C(O)c1cccc2c(Br)[nH]nc12.
What is the InChIKey of 3-bromo-2H-indazole-7-carboxylic acid?
The InChIKey is SHOGUOJFKMABOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2/c9-7-4-2-1-3-5(8(12)13)6(4)10-11-7/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 3-bromo-2H-indazole-7-carboxylic acid?
3-bromo-2H-indazole-7-carboxylic acid has a molecular weight of 241.04 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-indazole-7-carboxylic acid is sourced from PubChem (CID 44585511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).