6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid

C17H11BrClNO2 — CID 118648671

IUPAC6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2[nH]c(/C=C/c3ccc(Cl)cc3)cc12
InChIInChI=1S/C17H11BrClNO2/c18-11-7-15(17(21)22)14-9-13(20-16(14)8-11)6-3-10-1-4-12(19)5-2-10/h1-9,20H,(H,21,22)/b6-3+
InChIKeyKBIGQMJWSLVYSC-ZZXKWVIFSA-N
MW376.64 g/mol
LogP5.45
Rot. Bonds3

About 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid

6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid (PubChem CID 118648671) has the molecular formula C17H11BrClNO2 and a molecular weight of 376.64 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid
PubChem CID118648671
Molecular FormulaC17H11BrClNO2
Molecular Weight376.64 g/mol
Exact Mass374.97
IUPAC Name6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2[nH]c(/C=C/c3ccc(Cl)cc3)cc12
InChIInChI=1S/C17H11BrClNO2/c18-11-7-15(17(21)22)14-9-13(20-16(14)8-11)6-3-10-1-4-12(19)5-2-10/h1-9,20H,(H,21,22)/b6-3+
InChIKeyKBIGQMJWSLVYSC-ZZXKWVIFSA-N
XLogP5.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.64
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-methyl-1H-indole
CID 129127558
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-3-carboxylic acid
CID 118657858
6-bromo-2-[2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 57361735
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
[6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indol-3-yl]methanediamine;hydrazine
CID 145305094
5-chloro-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxybenzoic acid
CID 54854829
2-[3-(4-bromophenyl)prop-2-enoylamino]-4-chlorobenzoic acid
CID 54565649
4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 23141451
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
CID 129125171
4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
CID 118657841
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
2,5-dibromobenzene-1,3-dicarboxylic acid
CID 22572011

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid?
The IUPAC name of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid (CID 118648671) is 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid.
What is the SMILES notation for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid?
The canonical SMILES for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid is O=C(O)c1cc(Br)cc2[nH]c(/C=C/c3ccc(Cl)cc3)cc12.
What is the InChIKey of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid?
The InChIKey is KBIGQMJWSLVYSC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H11BrClNO2/c18-11-7-15(17(21)22)14-9-13(20-16(14)8-11)6-3-10-1-4-12(19)5-2-10/h1-9,20H,(H,21,22)/b6-3+.
What are the key properties of 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid?
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid has a molecular weight of 376.64 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole-4-carboxylic acid is sourced from PubChem (CID 118648671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).