3-(2,2-dibromoethenyl)-1H-indole

C10H7Br2N — CID 130532177

IUPAC3-(2,2-dibromoethenyl)-1H-indole
SMILESBrC(Br)=Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H7Br2N/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,13H
InChIKeyQPVSHSFRGCUHSU-UHFFFAOYSA-N
MW300.98 g/mol
LogP4.26
Rot. Bonds1

About 3-(2,2-dibromoethenyl)-1H-indole

3-(2,2-dibromoethenyl)-1H-indole (PubChem CID 130532177) has the molecular formula C10H7Br2N and a molecular weight of 300.98 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-1H-indole.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-1H-indole
PubChem CID130532177
Molecular FormulaC10H7Br2N
Molecular Weight300.98 g/mol
Exact Mass298.89
IUPAC Name3-(2,2-dibromoethenyl)-1H-indole
SMILESBrC(Br)=Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H7Br2N/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,13H
InChIKeyQPVSHSFRGCUHSU-UHFFFAOYSA-N
XLogP4.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.98
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432
2-(2-chlorophenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 3893073
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
1H-indol-3-ylmethylidenephosphane
CID 136612599
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
CID 716705
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
(Z)-2-dimethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 6477471
(E)-3-(1H-indol-3-yl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374759
2-(1H-indol-3-yl)ethenyl 3-(1H-indol-3-yl)prop-2-enoate
CID 163135142
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
N-[(3Z)-3-(1H-indol-3-ylmethylidene)-4-oxopent-1-en-2-yl]acetamide
CID 142165781

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethenyl)-1H-indole?
The IUPAC name of 3-(2,2-dibromoethenyl)-1H-indole (CID 130532177) is 3-(2,2-dibromoethenyl)-1H-indole.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-1H-indole?
The canonical SMILES for 3-(2,2-dibromoethenyl)-1H-indole is BrC(Br)=Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,2-dibromoethenyl)-1H-indole?
The InChIKey is QPVSHSFRGCUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-6,13H.
What are the key properties of 3-(2,2-dibromoethenyl)-1H-indole?
3-(2,2-dibromoethenyl)-1H-indole has a molecular weight of 300.98 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethenyl)-1H-indole is sourced from PubChem (CID 130532177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).