5,6-dimethyl-1H-indole-3-carbonyl chloride

C11H10ClNO — CID 45081910

IUPAC5,6-dimethyl-1H-indole-3-carbonyl chloride
SMILESCc1cc2[nH]cc(C(=O)Cl)c2cc1C
InChIInChI=1S/C11H10ClNO/c1-6-3-8-9(11(12)14)5-13-10(8)4-7(6)2/h3-5,13H,1-2H3
InChIKeyBIALUESMEDVWOQ-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.16
Rot. Bonds1

About 5,6-dimethyl-1H-indole-3-carbonyl chloride

5,6-dimethyl-1H-indole-3-carbonyl chloride (PubChem CID 45081910) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 5,6-dimethyl-1H-indole-3-carbonyl chloride.

Molecular Properties

Compound Name5,6-dimethyl-1H-indole-3-carbonyl chloride
PubChem CID45081910
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name5,6-dimethyl-1H-indole-3-carbonyl chloride
SMILESCc1cc2[nH]cc(C(=O)Cl)c2cc1C
InChIInChI=1S/C11H10ClNO/c1-6-3-8-9(11(12)14)5-13-10(8)4-7(6)2/h3-5,13H,1-2H3
InChIKeyBIALUESMEDVWOQ-UHFFFAOYSA-N
XLogP3.16
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-1H-indole-3-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dimethyl-1H-indol-3-yl)-2-oxoacetaldehyde
CID 174428230
5-fluoro-6-methyl-1H-indole-3-carboxylic acid
CID 118644697
1-(5,6-dimethyl-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 170210989
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
3-(6-chloropyridine-3-carbonyl)-6,7-dimethyl-1H-quinolin-4-one
CID 143389913
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639
6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 52998483
(7-acetyloxy-3-carbonochloridoyl-4-oxo-1H-quinolin-6-yl) acetate
CID 13131775
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
2-chloro-1-(5,6-dimethoxy-1H-indol-3-yl)ethanone
CID 907553
3-methyl-1H-pyrrole-2,4-dicarbonyl chloride
CID 154175166
1-(5,6-dimethyl-1H-indol-3-yl)ethanol
CID 83945019

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1H-indole-3-carbonyl chloride?
The IUPAC name of 5,6-dimethyl-1H-indole-3-carbonyl chloride (CID 45081910) is 5,6-dimethyl-1H-indole-3-carbonyl chloride.
What is the SMILES notation for 5,6-dimethyl-1H-indole-3-carbonyl chloride?
The canonical SMILES for 5,6-dimethyl-1H-indole-3-carbonyl chloride is Cc1cc2[nH]cc(C(=O)Cl)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1H-indole-3-carbonyl chloride?
The InChIKey is BIALUESMEDVWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-6-3-8-9(11(12)14)5-13-10(8)4-7(6)2/h3-5,13H,1-2H3.
What are the key properties of 5,6-dimethyl-1H-indole-3-carbonyl chloride?
5,6-dimethyl-1H-indole-3-carbonyl chloride has a molecular weight of 207.66 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1H-indole-3-carbonyl chloride is sourced from PubChem (CID 45081910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).