5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde

C10H7Cl2NO — CID 65335092

IUPAC5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2c(Cl)cc(Cl)cc2c1C=O
InChIInChI=1S/C10H7Cl2NO/c1-5-8(4-14)7-2-6(11)3-9(12)10(7)13-5/h2-4,13H,1H3
InChIKeyLBZFSNSVDZOISD-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.60
Rot. Bonds1

About 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde

5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde (PubChem CID 65335092) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde
PubChem CID65335092
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2c(Cl)cc(Cl)cc2c1C=O
InChIInChI=1S/C10H7Cl2NO/c1-5-8(4-14)7-2-6(11)3-9(12)10(7)13-5/h2-4,13H,1H3
InChIKeyLBZFSNSVDZOISD-UHFFFAOYSA-N
XLogP3.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde (CID 65335092) is 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde is Cc1[nH]c2c(Cl)cc(Cl)cc2c1C=O.
What is the InChIKey of 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde?
The InChIKey is LBZFSNSVDZOISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-5-8(4-14)7-2-6(11)3-9(12)10(7)13-5/h2-4,13H,1H3.
What are the key properties of 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde?
5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde has a molecular weight of 228.08 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 65335092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).