4,7-dimethoxy-5-nitro-1H-indole

C10H10N2O4 — CID 83822743

IUPAC4,7-dimethoxy-5-nitro-1H-indole
SMILESCOc1c([N+](=O)[O-])cc(OC)c2[nH]ccc12
InChIInChI=1S/C10H10N2O4/c1-15-8-5-7(12(13)14)10(16-2)6-3-4-11-9(6)8/h3-5,11H,1-2H3
InChIKeyVZRWZUJQUMPWNJ-UHFFFAOYSA-N
MW222.20 g/mol
LogP2.09
Rot. Bonds3

About 4,7-dimethoxy-5-nitro-1H-indole

4,7-dimethoxy-5-nitro-1H-indole (PubChem CID 83822743) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4,7-dimethoxy-5-nitro-1H-indole.

Molecular Properties

Compound Name4,7-dimethoxy-5-nitro-1H-indole
PubChem CID83822743
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name4,7-dimethoxy-5-nitro-1H-indole
SMILESCOc1c([N+](=O)[O-])cc(OC)c2[nH]ccc12
InChIInChI=1S/C10H10N2O4/c1-15-8-5-7(12(13)14)10(16-2)6-3-4-11-9(6)8/h3-5,11H,1-2H3
InChIKeyVZRWZUJQUMPWNJ-UHFFFAOYSA-N
XLogP2.09
TPSA77.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-5-nitro-1H-indole
CID 10797804
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
N-(2,2-dimethoxyethyl)-5,7-dinitro-1H-indol-4-amine
CID 102097958
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
5-(iodomethyl)-1,2-dimethoxy-3-nitrobenzene
CID 22959553
7-methyl-4-nitro-1H-indole
CID 21218311
6-methoxy-5-nitro-2H-isoquinolin-1-one
CID 141222598
methyl 7-nitro-1H-indole-5-carboxylate
CID 123135670
7-nitro-1H-indol-4-amine
CID 83816689
2-hydroxy-3,6-dimethoxy-5-nitrobenzaldehyde
CID 66545661
5-ethynyl-1,2-dimethoxy-3-nitrobenzene
CID 142496757
5-(dimethoxymethyl)-1,2-dimethoxy-3-nitrobenzene
CID 118565953

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-5-nitro-1H-indole?
The IUPAC name of 4,7-dimethoxy-5-nitro-1H-indole (CID 83822743) is 4,7-dimethoxy-5-nitro-1H-indole.
What is the SMILES notation for 4,7-dimethoxy-5-nitro-1H-indole?
The canonical SMILES for 4,7-dimethoxy-5-nitro-1H-indole is COc1c([N+](=O)[O-])cc(OC)c2[nH]ccc12.
What is the InChIKey of 4,7-dimethoxy-5-nitro-1H-indole?
The InChIKey is VZRWZUJQUMPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-15-8-5-7(12(13)14)10(16-2)6-3-4-11-9(6)8/h3-5,11H,1-2H3.
What are the key properties of 4,7-dimethoxy-5-nitro-1H-indole?
4,7-dimethoxy-5-nitro-1H-indole has a molecular weight of 222.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-5-nitro-1H-indole is sourced from PubChem (CID 83822743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).