3-methyl-6-nitro-9H-carbazole

C13H10N2O2 — CID 58160212

IUPAC3-methyl-6-nitro-9H-carbazole
SMILESCc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1
InChIInChI=1S/C13H10N2O2/c1-8-2-4-12-10(6-8)11-7-9(15(16)17)3-5-13(11)14-12/h2-7,14H,1H3
InChIKeyPZYIYVRGNVEBQA-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.54
Rot. Bonds1

About 3-methyl-6-nitro-9H-carbazole

3-methyl-6-nitro-9H-carbazole (PubChem CID 58160212) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-methyl-6-nitro-9H-carbazole.

Molecular Properties

Compound Name3-methyl-6-nitro-9H-carbazole
PubChem CID58160212
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-methyl-6-nitro-9H-carbazole
SMILESCc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1
InChIInChI=1S/C13H10N2O2/c1-8-2-4-12-10(6-8)11-7-9(15(16)17)3-5-13(11)14-12/h2-7,14H,1H3
InChIKeyPZYIYVRGNVEBQA-UHFFFAOYSA-N
XLogP3.54
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.54
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

2-methyl-6-nitro-10H-acridin-9-one
CID 154179171
6-nitro-9H-carbazol-3-amine
CID 175861785
3,6-dimethyl-9H-carbazole
CID 144942624
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
3-methyl-5-nitro-1H-indole-2-carboxylate
CID 6963900
2,3-difluoro-5-nitro-1H-indole
CID 100933686
9-methoxy-2-methyl-7-nitroanthracene
CID 59546635
2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide
CID 135016971
2,7-dimethyl-10H-acridin-9-one
CID 13293445
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
1-chloro-6-nitro-9H-carbazole
CID 163637234
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nitro-9H-carbazole?
The IUPAC name of 3-methyl-6-nitro-9H-carbazole (CID 58160212) is 3-methyl-6-nitro-9H-carbazole.
What is the SMILES notation for 3-methyl-6-nitro-9H-carbazole?
The canonical SMILES for 3-methyl-6-nitro-9H-carbazole is Cc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c2c1.
What is the InChIKey of 3-methyl-6-nitro-9H-carbazole?
The InChIKey is PZYIYVRGNVEBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-2-4-12-10(6-8)11-7-9(15(16)17)3-5-13(11)14-12/h2-7,14H,1H3.
What are the key properties of 3-methyl-6-nitro-9H-carbazole?
3-methyl-6-nitro-9H-carbazole has a molecular weight of 226.24 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-nitro-9H-carbazole is sourced from PubChem (CID 58160212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).