2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide

C17H14BrNO2 — CID 159351234

IUPAC2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide
SMILESCCc1ccc2[nH]c(-c3ccccc3Br)cc2c1.O=C=O
InChIInChI=1S/C16H14BrN.CO2/c1-2-11-7-8-15-12(9-11)10-16(18-15)13-5-3-4-6-14(13)17;2-1-3/h3-10,18H,2H2,1H3;
InChIKeyLHIUWMGCIQCMLW-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.58
Rot. Bonds2

About 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide

2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide (PubChem CID 159351234) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide
PubChem CID159351234
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide
SMILESCCc1ccc2[nH]c(-c3ccccc3Br)cc2c1.O=C=O
InChIInChI=1S/C16H14BrN.CO2/c1-2-11-7-8-15-12(9-11)10-16(18-15)13-5-3-4-6-14(13)17;2-1-3/h3-10,18H,2H2,1H3;
InChIKeyLHIUWMGCIQCMLW-UHFFFAOYSA-N
XLogP4.58
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-5-fluoro-1H-indole
CID 131887074
2-(2-bromophenyl)-5-methoxy-1H-indole
CID 131887178
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
2-(1-benzofuran-2-yl)-5-methyl-1H-indole;2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide;2-(furan-2-yl)-5-methyl-1H-indole;7-methoxy-2-phenyl-1H-indole;5-methyl-2-naphthalen-2-yl-1H-indole;5-methyl-2-phenyl-1H-indole;bis(6-methyl-2-phenyl-1H-indole);2-phenyl-1H-benzo[g]indole
CID 158664663
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
(5-ethyl-1H-indol-2-yl)methanol
CID 21405642
(5-ethyl-1H-indol-2-yl)-methyl-triphenyl-λ5-phosphane
CID 173310644
5-bromo-2-(2-chlorophenyl)-1H-indole
CID 58200676
ethyl 3-[2-[2-(trifluoromethyl)phenyl]-1H-indol-5-yl]propanoate
CID 142738596
2-(6-ethyl-1H-indol-2-yl)-5-methoxy-1H-indole
CID 144993445
6-ethyl-3-methyl-1H-quinoline-2-thione
CID 18524198
2-(2-bromophenyl)-5,7-dimethyl-1H-indole
CID 131886941

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide?
The IUPAC name of 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide (CID 159351234) is 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide.
What is the SMILES notation for 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide?
The canonical SMILES for 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide is CCc1ccc2[nH]c(-c3ccccc3Br)cc2c1.O=C=O.
What is the InChIKey of 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide?
The InChIKey is LHIUWMGCIQCMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN.CO2/c1-2-11-7-8-15-12(9-11)10-16(18-15)13-5-3-4-6-14(13)17;2-1-3/h3-10,18H,2H2,1H3;.
What are the key properties of 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide?
2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide has a molecular weight of 344.21 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide is sourced from PubChem (CID 159351234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).