methyl 6-bromo-5-methyl-1H-indole-3-carboxylate

C11H10BrNO2 — CID 130049639

IUPACmethyl 6-bromo-5-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Br)c(C)cc12
InChIInChI=1S/C11H10BrNO2/c1-6-3-7-8(11(14)15-2)5-13-10(7)4-9(6)12/h3-5,13H,1-2H3
InChIKeyMIKVNMUQAPCWPH-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.03
Rot. Bonds1

About methyl 6-bromo-5-methyl-1H-indole-3-carboxylate

methyl 6-bromo-5-methyl-1H-indole-3-carboxylate (PubChem CID 130049639) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl 6-bromo-5-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-5-methyl-1H-indole-3-carboxylate
PubChem CID130049639
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl 6-bromo-5-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Br)c(C)cc12
InChIInChI=1S/C11H10BrNO2/c1-6-3-7-8(11(14)15-2)5-13-10(7)4-9(6)12/h3-5,13H,1-2H3
InChIKeyMIKVNMUQAPCWPH-UHFFFAOYSA-N
XLogP3.03
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl 6-bromo-5-methyl-1H-indole-3-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

methyl 5-bromo-6-(methoxymethyl)-1H-indole-3-carboxylate
CID 67695947
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
ethyl 2-(6-bromo-5-methyl-1H-indol-3-yl)acetate
CID 137332505
methyl 4-bromo-2-hydroxy-5-methylbenzoate
CID 66611909
methyl 5-methylsulfanyl-1H-indole-3-carboxylate
CID 89470406
ethane;methyl 5-fluoro-3-methyl-1H-indole-6-carboxylate
CID 145387851
methyl 5-(4-hydroxy-2-methylphenyl)-1H-indole-3-carboxylate
CID 57443275
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 3,6-dibromo-1H-indole-4-carboxylate
CID 126970229
methyl 4-bromo-7-methyl-1H-indole-3-carboxylate
CID 130049659
1-O-tert-butyl 3-O-methyl 5-bromo-6-chloroindole-1,3-dicarboxylate;methyl 5-bromo-6-chloro-1H-indole-3-carboxylate
CID 159823279
5,6-dimethyl-1H-indole-3-carbonyl chloride
CID 45081910

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-5-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 6-bromo-5-methyl-1H-indole-3-carboxylate (CID 130049639) is methyl 6-bromo-5-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 6-bromo-5-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 6-bromo-5-methyl-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2cc(Br)c(C)cc12.
What is the InChIKey of methyl 6-bromo-5-methyl-1H-indole-3-carboxylate?
The InChIKey is MIKVNMUQAPCWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6-3-7-8(11(14)15-2)5-13-10(7)4-9(6)12/h3-5,13H,1-2H3.
What are the key properties of methyl 6-bromo-5-methyl-1H-indole-3-carboxylate?
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate has a molecular weight of 268.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-5-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 130049639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).