5-chloro-1,4-dimethylindole-2-carbonyl chloride

C11H9Cl2NO — CID 130408859

IUPAC5-chloro-1,4-dimethylindole-2-carbonyl chloride
SMILESCc1c(Cl)ccc2c1cc(C(=O)Cl)n2C
InChIInChI=1S/C11H9Cl2NO/c1-6-7-5-10(11(13)15)14(2)9(7)4-3-8(6)12/h3-5H,1-2H3
InChIKeyLWRYNHPELDTUEN-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.52
Rot. Bonds1

About 5-chloro-1,4-dimethylindole-2-carbonyl chloride

5-chloro-1,4-dimethylindole-2-carbonyl chloride (PubChem CID 130408859) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 5-chloro-1,4-dimethylindole-2-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-1,4-dimethylindole-2-carbonyl chloride
PubChem CID130408859
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name5-chloro-1,4-dimethylindole-2-carbonyl chloride
SMILESCc1c(Cl)ccc2c1cc(C(=O)Cl)n2C
InChIInChI=1S/C11H9Cl2NO/c1-6-7-5-10(11(13)15)14(2)9(7)4-3-8(6)12/h3-5H,1-2H3
InChIKeyLWRYNHPELDTUEN-UHFFFAOYSA-N
XLogP3.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 130408441
4-chloro-1,5-dimethylindole-2-carboxamide;prop-1-ene
CID 145367439
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
2,4-dichloro-3-methylbenzoyl chloride
CID 13235952
4,5-dichloro-1-methyl-N-(4-sulfamoylphenyl)indole-2-carboxamide
CID 130408598
4,5-dichloro-1-methyl-N-[4-(methylsulfonylcarbamoyl)cyclohexyl]indole-2-carboxamide
CID 130416961
4,5-dichloro-1,6-dimethylindole-2-carboxamide
CID 142427655
5-tert-butyl-1,3-dimethylindole-2-carboxylic acid
CID 82497925
6-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517705
N-[1-(acetylsulfamoyl)azetidin-3-yl]-4,5-dichloro-1-methylindole-2-carboxamide
CID 130408286
(3-carbonochloridoyl-1,2-dimethylindol-5-yl) acetate
CID 86672895

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dimethylindole-2-carbonyl chloride?
The IUPAC name of 5-chloro-1,4-dimethylindole-2-carbonyl chloride (CID 130408859) is 5-chloro-1,4-dimethylindole-2-carbonyl chloride.
What is the SMILES notation for 5-chloro-1,4-dimethylindole-2-carbonyl chloride?
The canonical SMILES for 5-chloro-1,4-dimethylindole-2-carbonyl chloride is Cc1c(Cl)ccc2c1cc(C(=O)Cl)n2C.
What is the InChIKey of 5-chloro-1,4-dimethylindole-2-carbonyl chloride?
The InChIKey is LWRYNHPELDTUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6-7-5-10(11(13)15)14(2)9(7)4-3-8(6)12/h3-5H,1-2H3.
What are the key properties of 5-chloro-1,4-dimethylindole-2-carbonyl chloride?
5-chloro-1,4-dimethylindole-2-carbonyl chloride has a molecular weight of 242.10 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,4-dimethylindole-2-carbonyl chloride is sourced from PubChem (CID 130408859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).