2-(4-bromophenyl)-3H-indole-3-carbaldehyde

C15H10BrNO — CID 174973416

IUPAC2-(4-bromophenyl)-3H-indole-3-carbaldehyde
SMILESO=CC1C(c2ccc(Br)cc2)=Nc2ccccc21
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)15-13(9-18)12-3-1-2-4-14(12)17-15/h1-9,13H
InChIKeyRJGOGKXQWQGBBK-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.87
Rot. Bonds2

About 2-(4-bromophenyl)-3H-indole-3-carbaldehyde

2-(4-bromophenyl)-3H-indole-3-carbaldehyde (PubChem CID 174973416) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-bromophenyl)-3H-indole-3-carbaldehyde
PubChem CID174973416
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name2-(4-bromophenyl)-3H-indole-3-carbaldehyde
SMILESO=CC1C(c2ccc(Br)cc2)=Nc2ccccc21
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)15-13(9-18)12-3-1-2-4-14(12)17-15/h1-9,13H
InChIKeyRJGOGKXQWQGBBK-UHFFFAOYSA-N
XLogP3.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-3H-indole-3-carbaldehyde
CID 174972770
2-(2-fluorophenyl)-3H-indole-3-carbaldehyde
CID 174973417
2-(4-Bromophenyl)indol-3-one
CID 2312809
2-(5-Bromo-3,3-dimethylindol-2-yl)acetaldehyde
CID 20311025
8-Bromo-2-(3-bromophenyl)-3,5-dihydro-1-benzazepin-4-one
CID 58396144
2-(3-Bromophenyl)-3,5-dihydro-1-benzazepin-4-one
CID 58396147
8-Bromo-2-(3-methylphenyl)-3,5-dihydro-1-benzazepin-4-one
CID 58396152
8-Bromo-2-phenyl-3,5-dihydro-1-benzazepin-4-one
CID 58396155
2-phenyl-3H-indole-3-carbaldehyde
CID 87788250
6-Bromo-1,2,3,4a-tetrahydrocarbazol-4-one
CID 141403440
2-(2-Amino-4-bromophenyl)-2-iminoacetaldehyde
CID 144176649
5-Bromo-3,3-dimethylindole-2-carbaldehyde
CID 162492500

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3H-indole-3-carbaldehyde?
The IUPAC name of 2-(4-bromophenyl)-3H-indole-3-carbaldehyde (CID 174973416) is 2-(4-bromophenyl)-3H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(4-bromophenyl)-3H-indole-3-carbaldehyde?
The canonical SMILES for 2-(4-bromophenyl)-3H-indole-3-carbaldehyde is O=CC1C(c2ccc(Br)cc2)=Nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-3H-indole-3-carbaldehyde?
The InChIKey is RJGOGKXQWQGBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)15-13(9-18)12-3-1-2-4-14(12)17-15/h1-9,13H.
What are the key properties of 2-(4-bromophenyl)-3H-indole-3-carbaldehyde?
2-(4-bromophenyl)-3H-indole-3-carbaldehyde has a molecular weight of 300.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3H-indole-3-carbaldehyde is sourced from PubChem (CID 174973416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).