3-chloro-1-methyl-6-nitro-2,3-dihydroindole

C9H9ClN2O2 — CID 21191342

IUPAC3-chloro-1-methyl-6-nitro-2,3-dihydroindole
SMILESCN1CC(Cl)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C9H9ClN2O2/c1-11-5-8(10)7-3-2-6(12(13)14)4-9(7)11/h2-4,8H,5H2,1H3
InChIKeyXUZYUHMTIKSDRK-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.32
Rot. Bonds1

About 3-chloro-1-methyl-6-nitro-2,3-dihydroindole

3-chloro-1-methyl-6-nitro-2,3-dihydroindole (PubChem CID 21191342) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-chloro-1-methyl-6-nitro-2,3-dihydroindole.

Molecular Properties

Compound Name3-chloro-1-methyl-6-nitro-2,3-dihydroindole
PubChem CID21191342
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name3-chloro-1-methyl-6-nitro-2,3-dihydroindole
SMILESCN1CC(Cl)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C9H9ClN2O2/c1-11-5-8(10)7-3-2-6(12(13)14)4-9(7)11/h2-4,8H,5H2,1H3
InChIKeyXUZYUHMTIKSDRK-UHFFFAOYSA-N
XLogP2.32
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-1-methyl-6-nitro-2,3-dihydroindole 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

3,5-dimethyl-8-nitro-1,2,4,5-tetrahydro-3-benzazepine
CID 57437918
1-(2-methyl-5-nitrophenyl)azetidin-3-amine
CID 65249583
4-chloro-1-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 168689091
N,1-dimethyl-N-(3-nitrophenyl)pyrrolidin-3-amine
CID 173013327
1-methyl-6-nitro-3-phenyl-3H-indol-2-one
CID 11334666
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
1-methyl-6-nitro-2,3-dihydroindazole
CID 67278398
2-(3,5-dimethylpiperazin-1-yl)-5-nitroaniline
CID 171982408
1-methyl-4,12-dinitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene
CID 15206041
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
2-methyl-10-nitro-7-(4-nitrophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
CID 13457926
4-benzyl-1-methyl-6-nitro-2,3-dihydroquinoxaline;ethane
CID 156828123

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-6-nitro-2,3-dihydroindole?
The IUPAC name of 3-chloro-1-methyl-6-nitro-2,3-dihydroindole (CID 21191342) is 3-chloro-1-methyl-6-nitro-2,3-dihydroindole.
What is the SMILES notation for 3-chloro-1-methyl-6-nitro-2,3-dihydroindole?
The canonical SMILES for 3-chloro-1-methyl-6-nitro-2,3-dihydroindole is CN1CC(Cl)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 3-chloro-1-methyl-6-nitro-2,3-dihydroindole?
The InChIKey is XUZYUHMTIKSDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-11-5-8(10)7-3-2-6(12(13)14)4-9(7)11/h2-4,8H,5H2,1H3.
What are the key properties of 3-chloro-1-methyl-6-nitro-2,3-dihydroindole?
3-chloro-1-methyl-6-nitro-2,3-dihydroindole has a molecular weight of 212.64 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-6-nitro-2,3-dihydroindole is sourced from PubChem (CID 21191342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).