2-nitro-11H-indolo[1,2-b]indazole

C14H9N3O2 — CID 11425243

IUPAC2-nitro-11H-indolo[1,2-b]indazole
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1c3ccccc3nn1-2
InChIInChI=1S/C14H9N3O2/c18-17(19)10-5-6-13-9(7-10)8-14-11-3-1-2-4-12(11)15-16(13)14/h1-7H,8H2
InChIKeyFXIMARFIGFINRH-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.84
Rot. Bonds1

About 2-nitro-11H-indolo[1,2-b]indazole

2-nitro-11H-indolo[1,2-b]indazole (PubChem CID 11425243) has the molecular formula C14H9N3O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-nitro-11H-indolo[1,2-b]indazole.

Molecular Properties

Compound Name2-nitro-11H-indolo[1,2-b]indazole
PubChem CID11425243
Molecular FormulaC14H9N3O2
Molecular Weight251.25 g/mol
Exact Mass251.07
IUPAC Name2-nitro-11H-indolo[1,2-b]indazole
SMILESO=[N+]([O-])c1ccc2c(c1)Cc1c3ccccc3nn1-2
InChIInChI=1S/C14H9N3O2/c18-17(19)10-5-6-13-9(7-10)8-14-11-3-1-2-4-12(11)15-16(13)14/h1-7H,8H2
InChIKeyFXIMARFIGFINRH-UHFFFAOYSA-N
XLogP2.84
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-nitro-11H-indolo[1,2-b]indazole?
The IUPAC name of 2-nitro-11H-indolo[1,2-b]indazole (CID 11425243) is 2-nitro-11H-indolo[1,2-b]indazole.
What is the SMILES notation for 2-nitro-11H-indolo[1,2-b]indazole?
The canonical SMILES for 2-nitro-11H-indolo[1,2-b]indazole is O=[N+]([O-])c1ccc2c(c1)Cc1c3ccccc3nn1-2.
What is the InChIKey of 2-nitro-11H-indolo[1,2-b]indazole?
The InChIKey is FXIMARFIGFINRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2/c18-17(19)10-5-6-13-9(7-10)8-14-11-3-1-2-4-12(11)15-16(13)14/h1-7H,8H2.
What are the key properties of 2-nitro-11H-indolo[1,2-b]indazole?
2-nitro-11H-indolo[1,2-b]indazole has a molecular weight of 251.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-11H-indolo[1,2-b]indazole is sourced from PubChem (CID 11425243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).