5-bromo-1H-indazole-3-carboxylate

C8H4BrN2O2- — CID 7157357

IUPAC5-bromo-1H-indazole-3-carboxylate
SMILESO=C([O-])c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)/p-1
InChIKeyAMJVXOOGGBPVCZ-UHFFFAOYSA-M
MW240.04 g/mol
LogP0.69
Rot. Bonds1

About 5-bromo-1H-indazole-3-carboxylate

5-bromo-1H-indazole-3-carboxylate (PubChem CID 7157357) has the molecular formula C8H4BrN2O2- and a molecular weight of 240.04 g/mol. Its IUPAC name is 5-bromo-1H-indazole-3-carboxylate.

Molecular Properties

Compound Name5-bromo-1H-indazole-3-carboxylate
PubChem CID7157357
Molecular FormulaC8H4BrN2O2-
Molecular Weight240.04 g/mol
Exact Mass238.95
IUPAC Name5-bromo-1H-indazole-3-carboxylate
SMILESO=C([O-])c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)/p-1
InChIKeyAMJVXOOGGBPVCZ-UHFFFAOYSA-M
XLogP0.69
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
CID 166150369
(5-bromo-1H-indazol-3-yl)-(1,4-diazepan-1-yl)methanone
CID 119416903
methyl (2S)-2-[(5-bromo-1H-indazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 165362085
5-bromo-N-(1H-indazol-6-yl)-1H-indazole-3-carboxamide
CID 117073881
5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
CID 119427244
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indazole-3-carboxylate?
The IUPAC name of 5-bromo-1H-indazole-3-carboxylate (CID 7157357) is 5-bromo-1H-indazole-3-carboxylate.
What is the SMILES notation for 5-bromo-1H-indazole-3-carboxylate?
The canonical SMILES for 5-bromo-1H-indazole-3-carboxylate is O=C([O-])c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1H-indazole-3-carboxylate?
The InChIKey is AMJVXOOGGBPVCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5BrN2O2/c9-4-1-2-6-5(3-4)7(8(12)13)11-10-6/h1-3H,(H,10,11)(H,12,13)/p-1.
What are the key properties of 5-bromo-1H-indazole-3-carboxylate?
5-bromo-1H-indazole-3-carboxylate has a molecular weight of 240.04 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indazole-3-carboxylate is sourced from PubChem (CID 7157357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).