1-benzyl-2-bromoindole-3-carbaldehyde

C16H12BrNO — CID 15466508

IUPAC1-benzyl-2-bromoindole-3-carbaldehyde
SMILESO=Cc1c(Br)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H12BrNO/c17-16-14(11-19)13-8-4-5-9-15(13)18(16)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyVNIUZIPEENSQJM-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.26
Rot. Bonds3

About 1-benzyl-2-bromoindole-3-carbaldehyde

1-benzyl-2-bromoindole-3-carbaldehyde (PubChem CID 15466508) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-benzyl-2-bromoindole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-2-bromoindole-3-carbaldehyde
PubChem CID15466508
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name1-benzyl-2-bromoindole-3-carbaldehyde
SMILESO=Cc1c(Br)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C16H12BrNO/c17-16-14(11-19)13-8-4-5-9-15(13)18(16)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyVNIUZIPEENSQJM-UHFFFAOYSA-N
XLogP4.26
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.26
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

1-Methyl-1H-indole-3-carbaldehyde
CID 87894
1H-Indole-3-carboxaldehyde, 1-methyl-2-phenyl-
CID 74468
Jwh-167
CID 44397502
1-(4-methylbenzyl)-1H-indole-3-carbaldehyde
CID 775565
2-(3-formyl-2-methyl-1H-indol-1-yl)acetic acid
CID 807121
1-benzyl-1H-indole-3-carbaldehyde
CID 262104
2-Phenylindole-3-carboxaldehyde
CID 613305
9-ethyl-9H-carbazole-3-carbaldehyde
CID 82055
5-fluoro-1-methyl-1H-indole-3-carbaldehyde
CID 1382009
2-(2-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 44397335
Jwh-205
CID 44397436
Jwh-209
CID 44397465

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-bromoindole-3-carbaldehyde?
The IUPAC name of 1-benzyl-2-bromoindole-3-carbaldehyde (CID 15466508) is 1-benzyl-2-bromoindole-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-2-bromoindole-3-carbaldehyde?
The canonical SMILES for 1-benzyl-2-bromoindole-3-carbaldehyde is O=Cc1c(Br)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-2-bromoindole-3-carbaldehyde?
The InChIKey is VNIUZIPEENSQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-16-14(11-19)13-8-4-5-9-15(13)18(16)10-12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 1-benzyl-2-bromoindole-3-carbaldehyde?
1-benzyl-2-bromoindole-3-carbaldehyde has a molecular weight of 314.18 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-bromoindole-3-carbaldehyde is sourced from PubChem (CID 15466508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).