3-nitro-2-phenylpyridine

C11H8N2O2 — CID 2762787

IUPAC3-nitro-2-phenylpyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccccc1
InChIInChI=1S/C11H8N2O2/c14-13(15)10-7-4-8-12-11(10)9-5-2-1-3-6-9/h1-8H
InChIKeyGEALTJGFPPNOJE-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.66
Rot. Bonds2

About 3-nitro-2-phenylpyridine

3-nitro-2-phenylpyridine (PubChem CID 2762787) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-nitro-2-phenylpyridine.

Molecular Properties

Compound Name3-nitro-2-phenylpyridine
PubChem CID2762787
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name3-nitro-2-phenylpyridine
SMILESO=[N+]([O-])c1cccnc1-c1ccccc1
InChIInChI=1S/C11H8N2O2/c14-13(15)10-7-4-8-12-11(10)9-5-2-1-3-6-9/h1-8H
InChIKeyGEALTJGFPPNOJE-UHFFFAOYSA-N
XLogP2.66
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.66
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 3-nitro-2-phenylpyridine?
The IUPAC name of 3-nitro-2-phenylpyridine (CID 2762787) is 3-nitro-2-phenylpyridine.
What is the SMILES notation for 3-nitro-2-phenylpyridine?
The canonical SMILES for 3-nitro-2-phenylpyridine is O=[N+]([O-])c1cccnc1-c1ccccc1.
What is the InChIKey of 3-nitro-2-phenylpyridine?
The InChIKey is GEALTJGFPPNOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-13(15)10-7-4-8-12-11(10)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 3-nitro-2-phenylpyridine?
3-nitro-2-phenylpyridine has a molecular weight of 200.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenylpyridine is sourced from PubChem (CID 2762787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).