5-nitro-2-phenylpyridin-4-amine

C11H9N3O2 — CID 131358645

IUPAC5-nitro-2-phenylpyridin-4-amine
SMILESNc1cc(-c2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O2/c12-9-6-10(8-4-2-1-3-5-8)13-7-11(9)14(15)16/h1-7H,(H2,12,13)
InChIKeyGERPVNZNLHEMFW-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.24
Rot. Bonds2

About 5-nitro-2-phenylpyridin-4-amine

5-nitro-2-phenylpyridin-4-amine (PubChem CID 131358645) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-nitro-2-phenylpyridin-4-amine.

Molecular Properties

Compound Name5-nitro-2-phenylpyridin-4-amine
PubChem CID131358645
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name5-nitro-2-phenylpyridin-4-amine
SMILESNc1cc(-c2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O2/c12-9-6-10(8-4-2-1-3-5-8)13-7-11(9)14(15)16/h1-7H,(H2,12,13)
InChIKeyGERPVNZNLHEMFW-UHFFFAOYSA-N
XLogP2.24
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 5-nitro-2-phenylpyridin-4-amine?
The IUPAC name of 5-nitro-2-phenylpyridin-4-amine (CID 131358645) is 5-nitro-2-phenylpyridin-4-amine.
What is the SMILES notation for 5-nitro-2-phenylpyridin-4-amine?
The canonical SMILES for 5-nitro-2-phenylpyridin-4-amine is Nc1cc(-c2ccccc2)ncc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-2-phenylpyridin-4-amine?
The InChIKey is GERPVNZNLHEMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-9-6-10(8-4-2-1-3-5-8)13-7-11(9)14(15)16/h1-7H,(H2,12,13).
What are the key properties of 5-nitro-2-phenylpyridin-4-amine?
5-nitro-2-phenylpyridin-4-amine has a molecular weight of 215.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenylpyridin-4-amine is sourced from PubChem (CID 131358645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).