7-methyl-4-nitro-1H-indole

C9H8N2O2 — CID 21218311

IUPAC7-methyl-4-nitro-1H-indole
SMILESCc1ccc([N+](=O)[O-])c2cc[nH]c12
InChIInChI=1S/C9H8N2O2/c1-6-2-3-8(11(12)13)7-4-5-10-9(6)7/h2-5,10H,1H3
InChIKeyPGDQJLNWTYACPC-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.38
Rot. Bonds1

About 7-methyl-4-nitro-1H-indole

7-methyl-4-nitro-1H-indole (PubChem CID 21218311) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 7-methyl-4-nitro-1H-indole.

Molecular Properties

Compound Name7-methyl-4-nitro-1H-indole
PubChem CID21218311
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name7-methyl-4-nitro-1H-indole
SMILESCc1ccc([N+](=O)[O-])c2cc[nH]c12
InChIInChI=1S/C9H8N2O2/c1-6-2-3-8(11(12)13)7-4-5-10-9(6)7/h2-5,10H,1H3
InChIKeyPGDQJLNWTYACPC-UHFFFAOYSA-N
XLogP2.38
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-nitro-1H-indol-4-amine
CID 83816689
7-methyl-4-nitro-1H-indole-2-carboxylic acid
CID 44720666
4,7-dimethoxy-5-nitro-1H-indole
CID 83822743
6-methyl-5-nitro-2H-isoquinolin-1-one
CID 52987928
8-chloro-5-nitro-2H-isoquinolin-1-one
CID 82572145
ethane;6-methyl-5-nitro-2H-isoquinolin-1-one
CID 91342275
2-chloro-3-methoxy-1-methyl-4-nitrobenzene
CID 119002827
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
N,2,6-trimethyl-3-nitroaniline
CID 126991962
5-fluoro-8-nitro-2H-isoquinolin-1-one
CID 82572142
5-bromo-8-nitro-2H-isoquinolin-1-one
CID 82572170

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-nitro-1H-indole?
The IUPAC name of 7-methyl-4-nitro-1H-indole (CID 21218311) is 7-methyl-4-nitro-1H-indole.
What is the SMILES notation for 7-methyl-4-nitro-1H-indole?
The canonical SMILES for 7-methyl-4-nitro-1H-indole is Cc1ccc([N+](=O)[O-])c2cc[nH]c12.
What is the InChIKey of 7-methyl-4-nitro-1H-indole?
The InChIKey is PGDQJLNWTYACPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-2-3-8(11(12)13)7-4-5-10-9(6)7/h2-5,10H,1H3.
What are the key properties of 7-methyl-4-nitro-1H-indole?
7-methyl-4-nitro-1H-indole has a molecular weight of 176.18 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-nitro-1H-indole is sourced from PubChem (CID 21218311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).