1,4-dimethyl-6-nitroindole

C10H10N2O2 — CID 154020831

IUPAC1,4-dimethyl-6-nitroindole
SMILESCc1cc([N+](=O)[O-])cc2c1ccn2C
InChIInChI=1S/C10H10N2O2/c1-7-5-8(12(13)14)6-10-9(7)3-4-11(10)2/h3-6H,1-2H3
InChIKeyZALSOYMYUBVPLP-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.39
Rot. Bonds1

About 1,4-dimethyl-6-nitroindole

1,4-dimethyl-6-nitroindole (PubChem CID 154020831) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1,4-dimethyl-6-nitroindole.

Molecular Properties

Compound Name1,4-dimethyl-6-nitroindole
PubChem CID154020831
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1,4-dimethyl-6-nitroindole
SMILESCc1cc([N+](=O)[O-])cc2c1ccn2C
InChIInChI=1S/C10H10N2O2/c1-7-5-8(12(13)14)6-10-9(7)3-4-11(10)2/h3-6H,1-2H3
InChIKeyZALSOYMYUBVPLP-UHFFFAOYSA-N
XLogP2.39
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[(2,6-dichlorophenyl)methyl]-1,4-dimethyl-6-nitroindole
CID 151881025
2,6-dimethyl-4-nitrophenolate
CID 6993803
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824
ethane;1-methyl-4-nitroindole
CID 143310904
2-(3-methoxyphenoxy)-1,3-dimethyl-5-nitrobenzene
CID 152649454
5-(2,6-dimethyl-4-nitrophenyl)furan-2-carbaldehyde
CID 169332404
(2,6-dimethyl-4-nitrophenyl)boronic acid
CID 130120841
5-methyl-7-nitroquinoline
CID 825902
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one
CID 174684212
(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
CID 87198165

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-nitroindole?
The IUPAC name of 1,4-dimethyl-6-nitroindole (CID 154020831) is 1,4-dimethyl-6-nitroindole.
What is the SMILES notation for 1,4-dimethyl-6-nitroindole?
The canonical SMILES for 1,4-dimethyl-6-nitroindole is Cc1cc([N+](=O)[O-])cc2c1ccn2C.
What is the InChIKey of 1,4-dimethyl-6-nitroindole?
The InChIKey is ZALSOYMYUBVPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-5-8(12(13)14)6-10-9(7)3-4-11(10)2/h3-6H,1-2H3.
What are the key properties of 1,4-dimethyl-6-nitroindole?
1,4-dimethyl-6-nitroindole has a molecular weight of 190.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-nitroindole is sourced from PubChem (CID 154020831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).