5-chloro-2-methyl-1H-indole-3-carbaldehyde

C10H8ClNO — CID 3159595

IUPAC5-chloro-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2ccc(Cl)cc2c1C=O
InChIInChI=1S/C10H8ClNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3
InChIKeyBZODTNGMGUKGEV-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.94
Rot. Bonds1

About 5-chloro-2-methyl-1H-indole-3-carbaldehyde

5-chloro-2-methyl-1H-indole-3-carbaldehyde (PubChem CID 3159595) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 5-chloro-2-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-methyl-1H-indole-3-carbaldehyde
PubChem CID3159595
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name5-chloro-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2ccc(Cl)cc2c1C=O
InChIInChI=1S/C10H8ClNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3
InChIKeyBZODTNGMGUKGEV-UHFFFAOYSA-N
XLogP2.94
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.94
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-chloro-2-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-methyl-1H-indole-3-carbaldehyde (CID 3159595) is 5-chloro-2-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-methyl-1H-indole-3-carbaldehyde is Cc1[nH]c2ccc(Cl)cc2c1C=O.
What is the InChIKey of 5-chloro-2-methyl-1H-indole-3-carbaldehyde?
The InChIKey is BZODTNGMGUKGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6-9(5-13)8-4-7(11)2-3-10(8)12-6/h2-5,12H,1H3.
What are the key properties of 5-chloro-2-methyl-1H-indole-3-carbaldehyde?
5-chloro-2-methyl-1H-indole-3-carbaldehyde has a molecular weight of 193.63 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 3159595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).