N-(2,4-dinitrophenyl)pyridin-2-amine

C11H8N4O4 — CID 2834447

IUPACN-(2,4-dinitrophenyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8N4O4/c16-14(17)8-4-5-9(10(7-8)15(18)19)13-11-3-1-2-6-12-11/h1-7H,(H,12,13)
InChIKeyWJJCHEFTTVHORZ-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.64
Rot. Bonds4

About N-(2,4-dinitrophenyl)pyridin-2-amine

N-(2,4-dinitrophenyl)pyridin-2-amine (PubChem CID 2834447) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-(2,4-dinitrophenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,4-dinitrophenyl)pyridin-2-amine
PubChem CID2834447
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC NameN-(2,4-dinitrophenyl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H8N4O4/c16-14(17)8-4-5-9(10(7-8)15(18)19)13-11-3-1-2-6-12-11/h1-7H,(H,12,13)
InChIKeyWJJCHEFTTVHORZ-UHFFFAOYSA-N
XLogP2.64
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(2,4-dinitrophenyl)pyridin-2-amine?
The IUPAC name of N-(2,4-dinitrophenyl)pyridin-2-amine (CID 2834447) is N-(2,4-dinitrophenyl)pyridin-2-amine.
What is the SMILES notation for N-(2,4-dinitrophenyl)pyridin-2-amine?
The canonical SMILES for N-(2,4-dinitrophenyl)pyridin-2-amine is O=[N+]([O-])c1ccc(Nc2ccccn2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,4-dinitrophenyl)pyridin-2-amine?
The InChIKey is WJJCHEFTTVHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-14(17)8-4-5-9(10(7-8)15(18)19)13-11-3-1-2-6-12-11/h1-7H,(H,12,13).
What are the key properties of N-(2,4-dinitrophenyl)pyridin-2-amine?
N-(2,4-dinitrophenyl)pyridin-2-amine has a molecular weight of 260.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dinitrophenyl)pyridin-2-amine is sourced from PubChem (CID 2834447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).