methyl 4-bromo-7-methyl-1H-indole-3-carboxylate

C11H10BrNO2 — CID 130049659

IUPACmethyl 4-bromo-7-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2c(C)ccc(Br)c12
InChIInChI=1S/C11H10BrNO2/c1-6-3-4-8(12)9-7(11(14)15-2)5-13-10(6)9/h3-5,13H,1-2H3
InChIKeyQNIWFSFIABSQRI-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.03
Rot. Bonds1

About methyl 4-bromo-7-methyl-1H-indole-3-carboxylate

methyl 4-bromo-7-methyl-1H-indole-3-carboxylate (PubChem CID 130049659) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl 4-bromo-7-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-7-methyl-1H-indole-3-carboxylate
PubChem CID130049659
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl 4-bromo-7-methyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2c(C)ccc(Br)c12
InChIInChI=1S/C11H10BrNO2/c1-6-3-4-8(12)9-7(11(14)15-2)5-13-10(6)9/h3-5,13H,1-2H3
InChIKeyQNIWFSFIABSQRI-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

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Related Compounds

4-bromo-7-methyl-1H-indole-3-carboxylic acid
CID 130048536
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639
methyl 7-bromo-4-methyl-1-benzothiophene-3-carboxylate
CID 155463767
methyl 3-(4-chloro-7-methyl-1H-indol-3-yl)-3-oxopropanoate
CID 82667196
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
methyl 2-bromo-5-methylbenzoate
CID 15110996
4-chloro-7-methyl-1H-indole-3-carboxylic acid
CID 131457272
methyl 4-amino-8-bromo-5-methylquinoline-3-carboxylate
CID 102614908
methyl 2-bromo-5-(2-methylphenyl)benzoate
CID 170794913
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
methyl 3-bromo-2-iodo-6-methylbenzoate
CID 171033899

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-7-methyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 4-bromo-7-methyl-1H-indole-3-carboxylate (CID 130049659) is methyl 4-bromo-7-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-7-methyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 4-bromo-7-methyl-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2c(C)ccc(Br)c12.
What is the InChIKey of methyl 4-bromo-7-methyl-1H-indole-3-carboxylate?
The InChIKey is QNIWFSFIABSQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-6-3-4-8(12)9-7(11(14)15-2)5-13-10(6)9/h3-5,13H,1-2H3.
What are the key properties of methyl 4-bromo-7-methyl-1H-indole-3-carboxylate?
methyl 4-bromo-7-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 4-bromo-7-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 130049659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).