5-bromo-7-chloro-1-methylindole-3-carbaldehyde

C10H7BrClNO — CID 83489032

IUPAC5-bromo-7-chloro-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2cc(Br)cc(Cl)c21
InChIInChI=1S/C10H7BrClNO/c1-13-4-6(5-14)8-2-7(11)3-9(12)10(8)13/h2-5H,1H3
InChIKeyQNAQGUVBNCWCHJ-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.41
Rot. Bonds1

About 5-bromo-7-chloro-1-methylindole-3-carbaldehyde

5-bromo-7-chloro-1-methylindole-3-carbaldehyde (PubChem CID 83489032) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 5-bromo-7-chloro-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-7-chloro-1-methylindole-3-carbaldehyde
PubChem CID83489032
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name5-bromo-7-chloro-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2cc(Br)cc(Cl)c21
InChIInChI=1S/C10H7BrClNO/c1-13-4-6(5-14)8-2-7(11)3-9(12)10(8)13/h2-5H,1H3
InChIKeyQNAQGUVBNCWCHJ-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
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 5-bromo-7-chloro-1-methylindole-3-carbaldehyde?
The IUPAC name of 5-bromo-7-chloro-1-methylindole-3-carbaldehyde (CID 83489032) is 5-bromo-7-chloro-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-7-chloro-1-methylindole-3-carbaldehyde?
The canonical SMILES for 5-bromo-7-chloro-1-methylindole-3-carbaldehyde is Cn1cc(C=O)c2cc(Br)cc(Cl)c21.
What is the InChIKey of 5-bromo-7-chloro-1-methylindole-3-carbaldehyde?
The InChIKey is QNAQGUVBNCWCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c1-13-4-6(5-14)8-2-7(11)3-9(12)10(8)13/h2-5H,1H3.
What are the key properties of 5-bromo-7-chloro-1-methylindole-3-carbaldehyde?
5-bromo-7-chloro-1-methylindole-3-carbaldehyde has a molecular weight of 272.53 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 83489032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).