7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde

C14H10BrNOS — CID 3590182

IUPAC7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3c(Br)cccc3c2C=O)s1
InChIInChI=1S/C14H10BrNOS/c1-8-5-6-12(18-8)14-10(7-17)9-3-2-4-11(15)13(9)16-14/h2-7,16H,1H3
InChIKeyOLZDZEFDXZWDHG-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.78
Rot. Bonds2

About 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde

7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde (PubChem CID 3590182) has the molecular formula C14H10BrNOS and a molecular weight of 320.21 g/mol. Its IUPAC name is 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
PubChem CID3590182
Molecular FormulaC14H10BrNOS
Molecular Weight320.21 g/mol
Exact Mass318.97
IUPAC Name7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde
SMILESCc1ccc(-c2[nH]c3c(Br)cccc3c2C=O)s1
InChIInChI=1S/C14H10BrNOS/c1-8-5-6-12(18-8)14-10(7-17)9-3-2-4-11(15)13(9)16-14/h2-7,16H,1H3
InChIKeyOLZDZEFDXZWDHG-UHFFFAOYSA-N
XLogP4.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde (CID 3590182) is 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde is Cc1ccc(-c2[nH]c3c(Br)cccc3c2C=O)s1.
What is the InChIKey of 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
The InChIKey is OLZDZEFDXZWDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS/c1-8-5-6-12(18-8)14-10(7-17)9-3-2-4-11(15)13(9)16-14/h2-7,16H,1H3.
What are the key properties of 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde?
7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde has a molecular weight of 320.21 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(5-methylthiophen-2-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3590182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).