1-methyl-6-nitro-1H-carbazole

C13H10N2O2 — CID 152601221

IUPAC1-methyl-6-nitro-1H-carbazole
SMILESCC1C=CC=C2C1=Nc1ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H10N2O2/c1-8-3-2-4-10-11-7-9(15(16)17)5-6-12(11)14-13(8)10/h2-8H,1H3
InChIKeyYXOMETONWIXOQR-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.27
Rot. Bonds1

About 1-methyl-6-nitro-1H-carbazole

1-methyl-6-nitro-1H-carbazole (PubChem CID 152601221) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-methyl-6-nitro-1H-carbazole.

Molecular Properties

Compound Name1-methyl-6-nitro-1H-carbazole
PubChem CID152601221
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name1-methyl-6-nitro-1H-carbazole
SMILESCC1C=CC=C2C1=Nc1ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H10N2O2/c1-8-3-2-4-10-11-7-9(15(16)17)5-6-12(11)14-13(8)10/h2-8H,1H3
InChIKeyYXOMETONWIXOQR-UHFFFAOYSA-N
XLogP3.27
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.27
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-6-nitro-1H-carbazole?
The IUPAC name of 1-methyl-6-nitro-1H-carbazole (CID 152601221) is 1-methyl-6-nitro-1H-carbazole.
What is the SMILES notation for 1-methyl-6-nitro-1H-carbazole?
The canonical SMILES for 1-methyl-6-nitro-1H-carbazole is CC1C=CC=C2C1=Nc1ccc([N+](=O)[O-])cc12.
What is the InChIKey of 1-methyl-6-nitro-1H-carbazole?
The InChIKey is YXOMETONWIXOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-3-2-4-10-11-7-9(15(16)17)5-6-12(11)14-13(8)10/h2-8H,1H3.
What are the key properties of 1-methyl-6-nitro-1H-carbazole?
1-methyl-6-nitro-1H-carbazole has a molecular weight of 226.24 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-nitro-1H-carbazole is sourced from PubChem (CID 152601221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).