3-amino-5-bromo-1-methylindole-2-carboxylic acid

C10H9BrN2O2 — CID 83825958

IUPAC3-amino-5-bromo-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)c(N)c2cc(Br)ccc21
InChIInChI=1S/C10H9BrN2O2/c1-13-7-3-2-5(11)4-6(7)8(12)9(13)10(14)15/h2-4H,12H2,1H3,(H,14,15)
InChIKeyJAOXERTUKJRCPE-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.22
Rot. Bonds1

About 3-amino-5-bromo-1-methylindole-2-carboxylic acid

3-amino-5-bromo-1-methylindole-2-carboxylic acid (PubChem CID 83825958) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-amino-5-bromo-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-bromo-1-methylindole-2-carboxylic acid
PubChem CID83825958
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-amino-5-bromo-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)c(N)c2cc(Br)ccc21
InChIInChI=1S/C10H9BrN2O2/c1-13-7-3-2-5(11)4-6(7)8(12)9(13)10(14)15/h2-4H,12H2,1H3,(H,14,15)
InChIKeyJAOXERTUKJRCPE-UHFFFAOYSA-N
XLogP2.22
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-5-bromo-1-methylindole-2-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

2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025396
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
6-bromo-1-methyl-3-(2,2,2-trifluoroacetyl)indole-2-carboxylic acid
CID 84646920
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
2-(5-bromo-1,2-dimethylindol-3-yl)acetamide
CID 82502196
(E)-3-(5-bromo-1,3-dimethylindol-2-yl)prop-2-enoic acid
CID 82502305
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072027
6-bromo-9-methylpyrido[3,4-b]indol-1-amine
CID 115051036
5-tert-butyl-1,3-dimethylindole-2-carboxylic acid
CID 82497925
methyl 4-amino-6-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207169
4-(5-bromo-1,2-dimethylindol-3-yl)butan-2-one
CID 82502307

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-methylindole-2-carboxylic acid?
The IUPAC name of 3-amino-5-bromo-1-methylindole-2-carboxylic acid (CID 83825958) is 3-amino-5-bromo-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-bromo-1-methylindole-2-carboxylic acid?
The canonical SMILES for 3-amino-5-bromo-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)c(N)c2cc(Br)ccc21.
What is the InChIKey of 3-amino-5-bromo-1-methylindole-2-carboxylic acid?
The InChIKey is JAOXERTUKJRCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-7-3-2-5(11)4-6(7)8(12)9(13)10(14)15/h2-4H,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-bromo-1-methylindole-2-carboxylic acid?
3-amino-5-bromo-1-methylindole-2-carboxylic acid has a molecular weight of 269.10 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 83825958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).