4-bromo-3-(3-chloroprop-1-enyl)-1H-indole

C11H9BrClN — CID 169478592

IUPAC4-bromo-3-(3-chloroprop-1-enyl)-1H-indole
SMILESClCC=Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C11H9BrClN/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1-5,7,14H,6H2
InChIKeyNXRDTVHZDTXXJK-UHFFFAOYSA-N
MW270.56 g/mol
LogP4.18
Rot. Bonds2

About 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole

4-bromo-3-(3-chloroprop-1-enyl)-1H-indole (PubChem CID 169478592) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole.

Molecular Properties

Compound Name4-bromo-3-(3-chloroprop-1-enyl)-1H-indole
PubChem CID169478592
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name4-bromo-3-(3-chloroprop-1-enyl)-1H-indole
SMILESClCC=Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C11H9BrClN/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1-5,7,14H,6H2
InChIKeyNXRDTVHZDTXXJK-UHFFFAOYSA-N
XLogP4.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
CID 137262829
4-bromo-3-fluoro-1H-indole
CID 66817286
4-bromo-3-methyl-1H-indole
CID 52987704
2-(4-bromo-1H-indol-3-yl)acetaldehyde
CID 117194859
4-(4-oxobut-1-enyl)-1H-indole-3-carbaldehyde
CID 170482614
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
1-bromo-2-(3-chloroprop-1-enyl)-3-fluorobenzene
CID 169478313
4-bromo-3-methylsulfanyl-1H-indole
CID 152778535
4-[3-(methylamino)prop-1-enyl]-1H-indole-3-carbaldehyde
CID 169474327
3-(4-chloro-1H-indol-3-yl)prop-2-enal
CID 169460196
(3E)-4-bromo-N-hydroxy-1H-indole-3-carboximidoyl chloride
CID 137028255

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole?
The IUPAC name of 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole (CID 169478592) is 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole.
What is the SMILES notation for 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole?
The canonical SMILES for 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole is ClCC=Cc1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole?
The InChIKey is NXRDTVHZDTXXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1-5,7,14H,6H2.
What are the key properties of 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole?
4-bromo-3-(3-chloroprop-1-enyl)-1H-indole has a molecular weight of 270.56 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(3-chloroprop-1-enyl)-1H-indole is sourced from PubChem (CID 169478592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).