4,7-dibromo-5,6-dimethoxy-1H-indole

C10H9Br2NO2 — CID 102576192

IUPAC4,7-dibromo-5,6-dimethoxy-1H-indole
SMILESCOc1c(OC)c(Br)c2[nH]ccc2c1Br
InChIInChI=1S/C10H9Br2NO2/c1-14-9-6(11)5-3-4-13-8(5)7(12)10(9)15-2/h3-4,13H,1-2H3
InChIKeyPIDCDWFRQXUMGM-UHFFFAOYSA-N
MW335.00 g/mol
LogP3.71
Rot. Bonds2

About 4,7-dibromo-5,6-dimethoxy-1H-indole

4,7-dibromo-5,6-dimethoxy-1H-indole (PubChem CID 102576192) has the molecular formula C10H9Br2NO2 and a molecular weight of 335.00 g/mol. Its IUPAC name is 4,7-dibromo-5,6-dimethoxy-1H-indole.

Molecular Properties

Compound Name4,7-dibromo-5,6-dimethoxy-1H-indole
PubChem CID102576192
Molecular FormulaC10H9Br2NO2
Molecular Weight335.00 g/mol
Exact Mass332.90
IUPAC Name4,7-dibromo-5,6-dimethoxy-1H-indole
SMILESCOc1c(OC)c(Br)c2[nH]ccc2c1Br
InChIInChI=1S/C10H9Br2NO2/c1-14-9-6(11)5-3-4-13-8(5)7(12)10(9)15-2/h3-4,13H,1-2H3
InChIKeyPIDCDWFRQXUMGM-UHFFFAOYSA-N
XLogP3.71
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.00
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-1H-indol-7-yl)-1-(4-methoxy-1H-indol-7-yl)hydrazine
CID 57112382
4-bromo-5-fluoro-7-methyl-1H-indole
CID 74888584
1,3,6,8-tetrabromo-2,7-dimethoxypyrene
CID 170567167
7-chloro-4-methoxy-5-methyl-1H-indole
CID 131972364
7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CID 53399660
5-bromo-6-methoxy-2H-isoquinolin-1-one
CID 82572165
3-methoxy-4H-furo[3,2-b]pyrrol-2-amine
CID 69292246
3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
4-bromo-5-methyl-7-phenylmethoxy-1H-indole
CID 59898831
3-(7-methoxy-1H-indol-6-yl)propan-1-amine
CID 76846854

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-5,6-dimethoxy-1H-indole?
The IUPAC name of 4,7-dibromo-5,6-dimethoxy-1H-indole (CID 102576192) is 4,7-dibromo-5,6-dimethoxy-1H-indole.
What is the SMILES notation for 4,7-dibromo-5,6-dimethoxy-1H-indole?
The canonical SMILES for 4,7-dibromo-5,6-dimethoxy-1H-indole is COc1c(OC)c(Br)c2[nH]ccc2c1Br.
What is the InChIKey of 4,7-dibromo-5,6-dimethoxy-1H-indole?
The InChIKey is PIDCDWFRQXUMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2/c1-14-9-6(11)5-3-4-13-8(5)7(12)10(9)15-2/h3-4,13H,1-2H3.
What are the key properties of 4,7-dibromo-5,6-dimethoxy-1H-indole?
4,7-dibromo-5,6-dimethoxy-1H-indole has a molecular weight of 335.00 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-5,6-dimethoxy-1H-indole is sourced from PubChem (CID 102576192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).