3-bromo-4,7-dimethoxy-1H-indole

C10H10BrNO2 — CID 13285273

IUPAC3-bromo-4,7-dimethoxy-1H-indole
SMILESCOc1ccc(OC)c2c(Br)c[nH]c12
InChIInChI=1S/C10H10BrNO2/c1-13-7-3-4-8(14-2)10-9(7)6(11)5-12-10/h3-5,12H,1-2H3
InChIKeyNNMGXOGXPJPWIY-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.95
Rot. Bonds2

About 3-bromo-4,7-dimethoxy-1H-indole

3-bromo-4,7-dimethoxy-1H-indole (PubChem CID 13285273) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-bromo-4,7-dimethoxy-1H-indole.

Molecular Properties

Compound Name3-bromo-4,7-dimethoxy-1H-indole
PubChem CID13285273
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name3-bromo-4,7-dimethoxy-1H-indole
SMILESCOc1ccc(OC)c2c(Br)c[nH]c12
InChIInChI=1S/C10H10BrNO2/c1-13-7-3-4-8(14-2)10-9(7)6(11)5-12-10/h3-5,12H,1-2H3
InChIKeyNNMGXOGXPJPWIY-UHFFFAOYSA-N
XLogP2.95
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-6-methoxy-7-methyl-1H-indole
CID 130052152
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
CID 83901052
3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole
CID 163052484
7-bromo-4-methoxy-2,3-dimethyl-1H-indole
CID 130049908
5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 22466603
2-(4,7-dimethoxy-1H-indol-3-yl)-2-methylpropan-1-amine
CID 82498773
1,4,5,8-tetramethoxynaphthalene
CID 10220551
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole
CID 162921752
7-bromo-3-(chloromethyl)-6-methoxy-1H-indole
CID 130049757
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
3-bromo-5-fluoro-7-methoxy-1H-indole
CID 130052168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,7-dimethoxy-1H-indole?
The IUPAC name of 3-bromo-4,7-dimethoxy-1H-indole (CID 13285273) is 3-bromo-4,7-dimethoxy-1H-indole.
What is the SMILES notation for 3-bromo-4,7-dimethoxy-1H-indole?
The canonical SMILES for 3-bromo-4,7-dimethoxy-1H-indole is COc1ccc(OC)c2c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-4,7-dimethoxy-1H-indole?
The InChIKey is NNMGXOGXPJPWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-13-7-3-4-8(14-2)10-9(7)6(11)5-12-10/h3-5,12H,1-2H3.
What are the key properties of 3-bromo-4,7-dimethoxy-1H-indole?
3-bromo-4,7-dimethoxy-1H-indole has a molecular weight of 256.10 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,7-dimethoxy-1H-indole is sourced from PubChem (CID 13285273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).