1-methyl-5-nitro-7-(trifluoromethyl)indole

C10H7F3N2O2 — CID 146296939

IUPAC1-methyl-5-nitro-7-(trifluoromethyl)indole
SMILESCn1ccc2cc([N+](=O)[O-])cc(C(F)(F)F)c21
InChIInChI=1S/C10H7F3N2O2/c1-14-3-2-6-4-7(15(16)17)5-8(9(6)14)10(11,12)13/h2-5H,1H3
InChIKeyNUIKSJDEIVUHQM-UHFFFAOYSA-N
MW244.17 g/mol
LogP3.11
Rot. Bonds1

About 1-methyl-5-nitro-7-(trifluoromethyl)indole

1-methyl-5-nitro-7-(trifluoromethyl)indole (PubChem CID 146296939) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-methyl-5-nitro-7-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-methyl-5-nitro-7-(trifluoromethyl)indole
PubChem CID146296939
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name1-methyl-5-nitro-7-(trifluoromethyl)indole
SMILESCn1ccc2cc([N+](=O)[O-])cc(C(F)(F)F)c21
InChIInChI=1S/C10H7F3N2O2/c1-14-3-2-6-4-7(15(16)17)5-8(9(6)14)10(11,12)13/h2-5H,1H3
InChIKeyNUIKSJDEIVUHQM-UHFFFAOYSA-N
XLogP3.11
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 53.11
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-7-(trifluoromethyl)indole?
The IUPAC name of 1-methyl-5-nitro-7-(trifluoromethyl)indole (CID 146296939) is 1-methyl-5-nitro-7-(trifluoromethyl)indole.
What is the SMILES notation for 1-methyl-5-nitro-7-(trifluoromethyl)indole?
The canonical SMILES for 1-methyl-5-nitro-7-(trifluoromethyl)indole is Cn1ccc2cc([N+](=O)[O-])cc(C(F)(F)F)c21.
What is the InChIKey of 1-methyl-5-nitro-7-(trifluoromethyl)indole?
The InChIKey is NUIKSJDEIVUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-14-3-2-6-4-7(15(16)17)5-8(9(6)14)10(11,12)13/h2-5H,1H3.
What are the key properties of 1-methyl-5-nitro-7-(trifluoromethyl)indole?
1-methyl-5-nitro-7-(trifluoromethyl)indole has a molecular weight of 244.17 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-7-(trifluoromethyl)indole is sourced from PubChem (CID 146296939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).