tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate

C13H15BrN2O3 — CID 59615298

IUPACtert-butyl 6-bromo-4-methoxyindazole-1-carboxylate
SMILESCOc1cc(Br)cc2c1cnn2C(=O)OC(C)(C)C
InChIInChI=1S/C13H15BrN2O3/c1-13(2,3)19-12(17)16-10-5-8(14)6-11(18-4)9(10)7-15-16/h5-7H,1-4H3
InChIKeyGAADFSICYFVBNI-UHFFFAOYSA-N
MW327.18 g/mol
LogP3.59
Rot. Bonds1

About tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate

tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate (PubChem CID 59615298) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-bromo-4-methoxyindazole-1-carboxylate
PubChem CID59615298
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Nametert-butyl 6-bromo-4-methoxyindazole-1-carboxylate
SMILESCOc1cc(Br)cc2c1cnn2C(=O)OC(C)(C)C
InChIInChI=1S/C13H15BrN2O3/c1-13(2,3)19-12(17)16-10-5-8(14)6-11(18-4)9(10)7-15-16/h5-7H,1-4H3
InChIKeyGAADFSICYFVBNI-UHFFFAOYSA-N
XLogP3.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate 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

6-bromo-4-methoxy-1H-indazole
CID 24728111
6-Bromo-1-{3-fluoro-4-[(phenylmethyl)oxy]phenyl}-4-(methyloxy)-1H-indazole
CID 59272981
1-[5-Bromo-4-(difluoromethoxy)indazol-1-yl]ethanone
CID 89602501
1-[5-Bromo-4-(2,2,2-trifluoroethoxy)indazol-1-yl]ethanone
CID 117690400
6-Bromo-3-fluoro-4-methoxy-2-methyl-2H-indazole
CID 126681012
6-Bromo-1-(4-fluorophenyl)-4-methoxyindazole
CID 155783089
4-Bromo-1-(4-fluorophenyl)-6-methoxyindazole
CID 155783133
2-[(4-Bromo-5-fluoro-6-methoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 163233696
Benzyl 6-bromo-7-fluoro-5-(4-fluoro-3-methoxyanilino)indazole-1-carboxylate
CID 171577730
6-Bromo-4-(difluoromethoxy)-3-iodo-2-methylindazole
CID 172606021
[6-Bromo-1-(4-fluorophenyl)indazol-4-yl] acetate
CID 174657913
[4-Bromo-2-[(4-fluorophenyl)methyl]indazol-6-yl] carbamate
CID 175278978

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate?
The IUPAC name of tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate (CID 59615298) is tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate?
The canonical SMILES for tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate is COc1cc(Br)cc2c1cnn2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate?
The InChIKey is GAADFSICYFVBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c1-13(2,3)19-12(17)16-10-5-8(14)6-11(18-4)9(10)7-15-16/h5-7H,1-4H3.
What are the key properties of tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate?
tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate has a molecular weight of 327.18 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-bromo-4-methoxyindazole-1-carboxylate is sourced from PubChem (CID 59615298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).