7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde

C16H12BrNO2 — CID 5225215

IUPAC7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3c(Br)cccc3c2C=O)cc1
InChIInChI=1S/C16H12BrNO2/c1-20-11-7-5-10(6-8-11)15-13(9-19)12-3-2-4-14(17)16(12)18-15/h2-9,18H,1H3
InChIKeyZBPYPVOKKNLJKR-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.42
Rot. Bonds3

About 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde

7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde (PubChem CID 5225215) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
PubChem CID5225215
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde
SMILESCOc1ccc(-c2[nH]c3c(Br)cccc3c2C=O)cc1
InChIInChI=1S/C16H12BrNO2/c1-20-11-7-5-10(6-8-11)15-13(9-19)12-3-2-4-14(17)16(12)18-15/h2-9,18H,1H3
InChIKeyZBPYPVOKKNLJKR-UHFFFAOYSA-N
XLogP4.42
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-6,7-dimethyl-1H-indole-3-carbaldehyde
CID 4595555
7-bromo-2-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 3707211
7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
CID 3590182
5,7-dimethoxy-2-(4-methoxyphenyl)-1H-indole-3,4-dicarbaldehyde
CID 10830916
7-bromo-2-ethyl-1H-indole-3-carbaldehyde
CID 84707557
2-(4-methylphenyl)-7-(trifluoromethyl)-1H-indole-3-carbaldehyde
CID 3505439
2-(4-methoxyphenyl)-4,6-dimethyl-1H-indole-3-carbaldehyde
CID 3450774
2-(4-ethylphenyl)-7-fluoro-1H-indole-3-carbaldehyde
CID 5225216
2-(3,4-dimethylphenyl)-1H-benzo[g]indole-3-carbaldehyde
CID 3533035
3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
7,18-dibromo-12-(4-methoxyphenyl)-11-thia-9,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,9,12,14(19),15,17-nonaene
CID 177477395

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde (CID 5225215) is 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde is COc1ccc(-c2[nH]c3c(Br)cccc3c2C=O)cc1.
What is the InChIKey of 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is ZBPYPVOKKNLJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-20-11-7-5-10(6-8-11)15-13(9-19)12-3-2-4-14(17)16(12)18-15/h2-9,18H,1H3.
What are the key properties of 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde?
7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 330.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-methoxyphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 5225215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).