5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde

C16H12BrNO — CID 3841486

IUPAC5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(Br)cc3c2C=O)cc1
InChIInChI=1S/C16H12BrNO/c1-10-2-4-11(5-3-10)16-14(9-19)13-8-12(17)6-7-15(13)18-16/h2-9,18H,1H3
InChIKeySONMHOIPGXREKF-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.72
Rot. Bonds2

About 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde

5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 3841486) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
PubChem CID3841486
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3ccc(Br)cc3c2C=O)cc1
InChIInChI=1S/C16H12BrNO/c1-10-2-4-11(5-3-10)16-14(9-19)13-8-12(17)6-7-15(13)18-16/h2-9,18H,1H3
InChIKeySONMHOIPGXREKF-UHFFFAOYSA-N
XLogP4.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Formyl-2-methylindole
CID 73166
2-Phenylindole-3-carboxaldehyde
CID 613305
6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 708529
1-(2-Phenyl-1H-indol-3-yl)ethanone
CID 613364
5-Bromoindole-3-carbaldehyde
CID 70137
2-(4-Fluorophenyl)-1H-indole-3-carboxaldehyde
CID 617264
2-(tert-butyl)-1H-indole-3-carbaldehyde
CID 2760965
1-(3-bromobenzyl)-1H-indole-3-carbaldehyde
CID 3293897
1H-Indole-3-carboxaldehyde, 5-butyl-2-[4-(trifluoromethyl)phenyl]-
CID 3731592
5-methyl-2-(4-methylphenyl)-1H-indole-3-carbaldehyde
CID 3745756
N-(6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide
CID 11773505
5-bromo-1-methyl-1H-indole-3-carbaldehyde
CID 778451

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde (CID 3841486) is 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3ccc(Br)cc3c2C=O)cc1.
What is the InChIKey of 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is SONMHOIPGXREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-10-2-4-11(5-3-10)16-14(9-19)13-8-12(17)6-7-15(13)18-16/h2-9,18H,1H3.
What are the key properties of 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde?
5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 314.18 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3841486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).