methyl 2-bromo-1-methylindole-6-carboxylate

C11H10BrNO2 — CID 131471893

IUPACmethyl 2-bromo-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)n(C)c2c1
InChIInChI=1S/C11H10BrNO2/c1-13-9-5-8(11(14)15-2)4-3-7(9)6-10(13)12/h3-6H,1-2H3
InChIKeyCIFGIIWKOYPCDF-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.73
Rot. Bonds1

About methyl 2-bromo-1-methylindole-6-carboxylate

methyl 2-bromo-1-methylindole-6-carboxylate (PubChem CID 131471893) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl 2-bromo-1-methylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-1-methylindole-6-carboxylate
PubChem CID131471893
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl 2-bromo-1-methylindole-6-carboxylate
SMILESCOC(=O)c1ccc2cc(Br)n(C)c2c1
InChIInChI=1S/C11H10BrNO2/c1-13-9-5-8(11(14)15-2)4-3-7(9)6-10(13)12/h3-6H,1-2H3
InChIKeyCIFGIIWKOYPCDF-UHFFFAOYSA-N
XLogP2.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(aminomethyl)-1-methylindole-6-carboxylate
CID 84786095
methyl 1,2-di(propan-2-yl)indole-6-carboxylate
CID 164731183
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 1-(5-amino-1-methyl-6-oxo-3-pyridinyl)indole-6-carboxylate
CID 175301452
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
methyl 7-bromo-2-(difluoromethyl)-3-methylbenzimidazole-5-carboxylate
CID 146458630
methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166836
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-1-methylindole-6-carboxylate?
The IUPAC name of methyl 2-bromo-1-methylindole-6-carboxylate (CID 131471893) is methyl 2-bromo-1-methylindole-6-carboxylate.
What is the SMILES notation for methyl 2-bromo-1-methylindole-6-carboxylate?
The canonical SMILES for methyl 2-bromo-1-methylindole-6-carboxylate is COC(=O)c1ccc2cc(Br)n(C)c2c1.
What is the InChIKey of methyl 2-bromo-1-methylindole-6-carboxylate?
The InChIKey is CIFGIIWKOYPCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-13-9-5-8(11(14)15-2)4-3-7(9)6-10(13)12/h3-6H,1-2H3.
What are the key properties of methyl 2-bromo-1-methylindole-6-carboxylate?
methyl 2-bromo-1-methylindole-6-carboxylate has a molecular weight of 268.11 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-1-methylindole-6-carboxylate is sourced from PubChem (CID 131471893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).