carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole

C11H10ClNO3 — CID 161417002

IUPACcarbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
SMILESCOc1cc2[nH]c(C)cc2cc1Cl.O=C=O
InChIInChI=1S/C10H10ClNO.CO2/c1-6-3-7-4-8(11)10(13-2)5-9(7)12-6;2-1-3/h3-5,12H,1-2H3;
InChIKeyVWFGEGAULLSBBD-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.55
Rot. Bonds1

About carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole

carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole (PubChem CID 161417002) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole.

Molecular Properties

Compound Namecarbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
PubChem CID161417002
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Namecarbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
SMILESCOc1cc2[nH]c(C)cc2cc1Cl.O=C=O
InChIInChI=1S/C10H10ClNO.CO2/c1-6-3-7-4-8(11)10(13-2)5-9(7)12-6;2-1-3/h3-5,12H,1-2H3;
InChIKeyVWFGEGAULLSBBD-UHFFFAOYSA-N
XLogP2.55
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole?
The IUPAC name of carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole (CID 161417002) is carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole.
What is the SMILES notation for carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole?
The canonical SMILES for carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole is COc1cc2[nH]c(C)cc2cc1Cl.O=C=O.
What is the InChIKey of carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole?
The InChIKey is VWFGEGAULLSBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO.CO2/c1-6-3-7-4-8(11)10(13-2)5-9(7)12-6;2-1-3/h3-5,12H,1-2H3;.
What are the key properties of carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole?
carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole has a molecular weight of 239.66 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole is sourced from PubChem (CID 161417002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).