5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole

C21H13N3O2 — CID 139310183

IUPAC5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole
SMILESO=[N+]([O-])c1cnccc1-c1cc2[nH]c3ccccc3c2c2ccccc12
InChIInChI=1S/C21H13N3O2/c25-24(26)20-12-22-10-9-14(20)17-11-19-21(15-6-2-1-5-13(15)17)16-7-3-4-8-18(16)23-19/h1-12,23H
InChIKeyJPVDOMJJOQTZFE-UHFFFAOYSA-N
MW339.35 g/mol
LogP5.44
Rot. Bonds2

About 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole

5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole (PubChem CID 139310183) has the molecular formula C21H13N3O2 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole.

Molecular Properties

Compound Name5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole
PubChem CID139310183
Molecular FormulaC21H13N3O2
Molecular Weight339.35 g/mol
Exact Mass339.10
IUPAC Name5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole
SMILESO=[N+]([O-])c1cnccc1-c1cc2[nH]c3ccccc3c2c2ccccc12
InChIInChI=1S/C21H13N3O2/c25-24(26)20-12-22-10-9-14(20)17-11-19-21(15-6-2-1-5-13(15)17)16-7-3-4-8-18(16)23-19/h1-12,23H
InChIKeyJPVDOMJJOQTZFE-UHFFFAOYSA-N
XLogP5.44
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 55.44
H-Bond Donors ≤ 51
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 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole?
The IUPAC name of 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole (CID 139310183) is 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole.
What is the SMILES notation for 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole?
The canonical SMILES for 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole is O=[N+]([O-])c1cnccc1-c1cc2[nH]c3ccccc3c2c2ccccc12.
What is the InChIKey of 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole?
The InChIKey is JPVDOMJJOQTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2/c25-24(26)20-12-22-10-9-14(20)17-11-19-21(15-6-2-1-5-13(15)17)16-7-3-4-8-18(16)23-19/h1-12,23H.
What are the key properties of 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole?
5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole has a molecular weight of 339.35 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitro-4-pyridinyl)-7H-benzo[c]carbazole is sourced from PubChem (CID 139310183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).