5-chloro-2,3-dimethyl-1H-indole

C10H10ClN — CID 2772413

IUPAC5-chloro-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1C
InChIInChI=1S/C10H10ClN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChIKeyUGVBTQYPCQFAER-UHFFFAOYSA-N
MW179.65 g/mol
LogP3.44
Rot. Bonds

About 5-chloro-2,3-dimethyl-1H-indole

5-chloro-2,3-dimethyl-1H-indole (PubChem CID 2772413) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 5-chloro-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name5-chloro-2,3-dimethyl-1H-indole
PubChem CID2772413
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name5-chloro-2,3-dimethyl-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1C
InChIInChI=1S/C10H10ClN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChIKeyUGVBTQYPCQFAER-UHFFFAOYSA-N
XLogP3.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethyl-1H-indole?
The IUPAC name of 5-chloro-2,3-dimethyl-1H-indole (CID 2772413) is 5-chloro-2,3-dimethyl-1H-indole.
What is the SMILES notation for 5-chloro-2,3-dimethyl-1H-indole?
The canonical SMILES for 5-chloro-2,3-dimethyl-1H-indole is Cc1[nH]c2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-2,3-dimethyl-1H-indole?
The InChIKey is UGVBTQYPCQFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3.
What are the key properties of 5-chloro-2,3-dimethyl-1H-indole?
5-chloro-2,3-dimethyl-1H-indole has a molecular weight of 179.65 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethyl-1H-indole is sourced from PubChem (CID 2772413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).