1-nitro-9H-indeno[2,1-c]pyridine

C12H8N2O2 — CID 154332793

IUPAC1-nitro-9H-indeno[2,1-c]pyridine
SMILESO=[N+]([O-])c1nccc2c1Cc1ccccc1-2
InChIInChI=1S/C12H8N2O2/c15-14(16)12-11-7-8-3-1-2-4-9(8)10(11)5-6-13-12/h1-6H,7H2
InChIKeyQYLZHVCPBOMEMW-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.56
Rot. Bonds1

About 1-nitro-9H-indeno[2,1-c]pyridine

1-nitro-9H-indeno[2,1-c]pyridine (PubChem CID 154332793) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-nitro-9H-indeno[2,1-c]pyridine.

Molecular Properties

Compound Name1-nitro-9H-indeno[2,1-c]pyridine
PubChem CID154332793
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name1-nitro-9H-indeno[2,1-c]pyridine
SMILESO=[N+]([O-])c1nccc2c1Cc1ccccc1-2
InChIInChI=1S/C12H8N2O2/c15-14(16)12-11-7-8-3-1-2-4-9(8)10(11)5-6-13-12/h1-6H,7H2
InChIKeyQYLZHVCPBOMEMW-UHFFFAOYSA-N
XLogP2.56
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.56
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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Related Compounds

9H-fluorene;oxozirconium
CID 174355249
2-methoxy-1-nitro-9H-fluorene
CID 159208657
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
3-bromo-2-nitro-1H-indene
CID 170225777
9H-fluoren-1-ylmethyl nitrate
CID 174713486
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
4-chloro-11H-indeno[1,2-h]quinoline
CID 70373092
8-(9H-fluoren-1-yl)quinoline
CID 151254514
11H-indeno[1,2-h]isoquinoline-1-sulfonamide
CID 86706711
CID 123562270
CID 123562270
2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619

Frequently Asked Questions

What is the IUPAC name of 1-nitro-9H-indeno[2,1-c]pyridine?
The IUPAC name of 1-nitro-9H-indeno[2,1-c]pyridine (CID 154332793) is 1-nitro-9H-indeno[2,1-c]pyridine.
What is the SMILES notation for 1-nitro-9H-indeno[2,1-c]pyridine?
The canonical SMILES for 1-nitro-9H-indeno[2,1-c]pyridine is O=[N+]([O-])c1nccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-nitro-9H-indeno[2,1-c]pyridine?
The InChIKey is QYLZHVCPBOMEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-14(16)12-11-7-8-3-1-2-4-9(8)10(11)5-6-13-12/h1-6H,7H2.
What are the key properties of 1-nitro-9H-indeno[2,1-c]pyridine?
1-nitro-9H-indeno[2,1-c]pyridine has a molecular weight of 212.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-9H-indeno[2,1-c]pyridine is sourced from PubChem (CID 154332793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).