7-bromo-4-methoxy-2,3-dimethyl-1H-indole

C11H12BrNO — CID 130049908

IUPAC7-bromo-4-methoxy-2,3-dimethyl-1H-indole
SMILESCOc1ccc(Br)c2[nH]c(C)c(C)c12
InChIInChI=1S/C11H12BrNO/c1-6-7(2)13-11-8(12)4-5-9(14-3)10(6)11/h4-5,13H,1-3H3
InChIKeyGSPCSBYNEUGDGK-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.56
Rot. Bonds1

About 7-bromo-4-methoxy-2,3-dimethyl-1H-indole

7-bromo-4-methoxy-2,3-dimethyl-1H-indole (PubChem CID 130049908) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 7-bromo-4-methoxy-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name7-bromo-4-methoxy-2,3-dimethyl-1H-indole
PubChem CID130049908
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name7-bromo-4-methoxy-2,3-dimethyl-1H-indole
SMILESCOc1ccc(Br)c2[nH]c(C)c(C)c12
InChIInChI=1S/C11H12BrNO/c1-6-7(2)13-11-8(12)4-5-9(14-3)10(6)11/h4-5,13H,1-3H3
InChIKeyGSPCSBYNEUGDGK-UHFFFAOYSA-N
XLogP3.56
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
8-bromo-5-fluoro-2,3-dimethyl-1H-quinolin-4-one
CID 107628096
4,7-dimethoxy-3-methyl-1H-indole-2-carboxamide
CID 172970685
5-methoxy-2,3-dimethyl-1H-indol-4-amine
CID 84771527
5-bromo-8-methoxy-1H-3,1-benzoxazine-2,4-dione
CID 63109398
6-bromo-3-methoxy-2-methylaniline
CID 67280395
6-bromo-2,3,7-trimethyl-1H-indole
CID 130050197
1,4,5,8-tetramethoxynaphthalene
CID 10220551
4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
CID 105455213
1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
CID 15362253

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methoxy-2,3-dimethyl-1H-indole?
The IUPAC name of 7-bromo-4-methoxy-2,3-dimethyl-1H-indole (CID 130049908) is 7-bromo-4-methoxy-2,3-dimethyl-1H-indole.
What is the SMILES notation for 7-bromo-4-methoxy-2,3-dimethyl-1H-indole?
The canonical SMILES for 7-bromo-4-methoxy-2,3-dimethyl-1H-indole is COc1ccc(Br)c2[nH]c(C)c(C)c12.
What is the InChIKey of 7-bromo-4-methoxy-2,3-dimethyl-1H-indole?
The InChIKey is GSPCSBYNEUGDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-6-7(2)13-11-8(12)4-5-9(14-3)10(6)11/h4-5,13H,1-3H3.
What are the key properties of 7-bromo-4-methoxy-2,3-dimethyl-1H-indole?
7-bromo-4-methoxy-2,3-dimethyl-1H-indole has a molecular weight of 254.13 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methoxy-2,3-dimethyl-1H-indole is sourced from PubChem (CID 130049908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).