2-nitropyridine;pyridin-2-amine

C10H10N4O2 — CID 160583163

IUPAC2-nitropyridine;pyridin-2-amine
SMILESNc1ccccn1.O=[N+]([O-])c1ccccn1
InChIInChI=1S/C5H4N2O2.C5H6N2/c8-7(9)5-3-1-2-4-6-5;6-5-3-1-2-4-7-5/h1-4H;1-4H,(H2,6,7)
InChIKeyRCAWFVQBDJTMKU-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.65
Rot. Bonds1

About 2-nitropyridine;pyridin-2-amine

2-nitropyridine;pyridin-2-amine (PubChem CID 160583163) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-nitropyridine;pyridin-2-amine.

Molecular Properties

Compound Name2-nitropyridine;pyridin-2-amine
PubChem CID160583163
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-nitropyridine;pyridin-2-amine
SMILESNc1ccccn1.O=[N+]([O-])c1ccccn1
InChIInChI=1S/C5H4N2O2.C5H6N2/c8-7(9)5-3-1-2-4-6-5;6-5-3-1-2-4-7-5/h1-4H;1-4H,(H2,6,7)
InChIKeyRCAWFVQBDJTMKU-UHFFFAOYSA-N
XLogP1.65
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-nitropyridine;pyridin-2-amine?
The IUPAC name of 2-nitropyridine;pyridin-2-amine (CID 160583163) is 2-nitropyridine;pyridin-2-amine.
What is the SMILES notation for 2-nitropyridine;pyridin-2-amine?
The canonical SMILES for 2-nitropyridine;pyridin-2-amine is Nc1ccccn1.O=[N+]([O-])c1ccccn1.
What is the InChIKey of 2-nitropyridine;pyridin-2-amine?
The InChIKey is RCAWFVQBDJTMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.C5H6N2/c8-7(9)5-3-1-2-4-6-5;6-5-3-1-2-4-7-5/h1-4H;1-4H,(H2,6,7).
What are the key properties of 2-nitropyridine;pyridin-2-amine?
2-nitropyridine;pyridin-2-amine has a molecular weight of 218.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitropyridine;pyridin-2-amine is sourced from PubChem (CID 160583163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).