7-bromo-3-(chloromethyl)-6-methoxy-1H-indole

C10H9BrClNO — CID 130049757

IUPAC7-bromo-3-(chloromethyl)-6-methoxy-1H-indole
SMILESCOc1ccc2c(CCl)c[nH]c2c1Br
InChIInChI=1S/C10H9BrClNO/c1-14-8-3-2-7-6(4-12)5-13-10(7)9(8)11/h2-3,5,13H,4H2,1H3
InChIKeyHTVBSUHCEOWOMS-UHFFFAOYSA-N
MW274.55 g/mol
LogP3.68
Rot. Bonds2

About 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole

7-bromo-3-(chloromethyl)-6-methoxy-1H-indole (PubChem CID 130049757) has the molecular formula C10H9BrClNO and a molecular weight of 274.55 g/mol. Its IUPAC name is 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole.

Molecular Properties

Compound Name7-bromo-3-(chloromethyl)-6-methoxy-1H-indole
PubChem CID130049757
Molecular FormulaC10H9BrClNO
Molecular Weight274.55 g/mol
Exact Mass272.96
IUPAC Name7-bromo-3-(chloromethyl)-6-methoxy-1H-indole
SMILESCOc1ccc2c(CCl)c[nH]c2c1Br
InChIInChI=1S/C10H9BrClNO/c1-14-8-3-2-7-6(4-12)5-13-10(7)9(8)11/h2-3,5,13H,4H2,1H3
InChIKeyHTVBSUHCEOWOMS-UHFFFAOYSA-N
XLogP3.68
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-7-fluoro-6-methoxy-1H-indole
CID 130049741
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
CID 83901052
3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
3-bromo-6-methoxy-7-methyl-1H-indole
CID 130052152
(5-bromo-7-methoxy-1H-indol-3-yl)methanol
CID 130049828
(7-bromo-6-methyl-1H-indol-3-yl)methanamine
CID 130049517
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
3-(2-azidoethyl)-6,7-dimethoxy-1H-indole
CID 10562361
7-chloro-3-ethyl-4-methoxy-1H-indole
CID 131972081
2-(4-chloro-7-methoxy-1H-indol-3-yl)acetonitrile
CID 84787663
5-bromo-6-methoxy-2H-isoquinolin-1-one
CID 82572165
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole?
The IUPAC name of 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole (CID 130049757) is 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole.
What is the SMILES notation for 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole?
The canonical SMILES for 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole is COc1ccc2c(CCl)c[nH]c2c1Br.
What is the InChIKey of 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole?
The InChIKey is HTVBSUHCEOWOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO/c1-14-8-3-2-7-6(4-12)5-13-10(7)9(8)11/h2-3,5,13H,4H2,1H3.
What are the key properties of 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole?
7-bromo-3-(chloromethyl)-6-methoxy-1H-indole has a molecular weight of 274.55 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(chloromethyl)-6-methoxy-1H-indole is sourced from PubChem (CID 130049757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).