3-nitropyridin-2-amine;5-nitropyrimidin-2-amine

C9H9N7O4 — CID 86215059

IUPAC3-nitropyridin-2-amine;5-nitropyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])cn1.Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O2.C4H4N4O2/c6-5-4(8(9)10)2-1-3-7-5;5-4-6-1-3(2-7-4)8(9)10/h1-3H,(H2,6,7);1-2H,(H2,5,6,7)
InChIKeyIVMSRDOOEQCNNM-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.54
Rot. Bonds2

About 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine

3-nitropyridin-2-amine;5-nitropyrimidin-2-amine (PubChem CID 86215059) has the molecular formula C9H9N7O4 and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name3-nitropyridin-2-amine;5-nitropyrimidin-2-amine
PubChem CID86215059
Molecular FormulaC9H9N7O4
Molecular Weight279.22 g/mol
Exact Mass279.07
IUPAC Name3-nitropyridin-2-amine;5-nitropyrimidin-2-amine
SMILESNc1ncc([N+](=O)[O-])cn1.Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O2.C4H4N4O2/c6-5-4(8(9)10)2-1-3-7-5;5-4-6-1-3(2-7-4)8(9)10/h1-3H,(H2,6,7);1-2H,(H2,5,6,7)
InChIKeyIVMSRDOOEQCNNM-UHFFFAOYSA-N
XLogP0.54
TPSA176.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-nitropyridin-2-amine;5-nitropyrimidin-2-amine?
The IUPAC name of 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine (CID 86215059) is 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine.
What is the SMILES notation for 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine?
The canonical SMILES for 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine is Nc1ncc([N+](=O)[O-])cn1.Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine?
The InChIKey is IVMSRDOOEQCNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2.C4H4N4O2/c6-5-4(8(9)10)2-1-3-7-5;5-4-6-1-3(2-7-4)8(9)10/h1-3H,(H2,6,7);1-2H,(H2,5,6,7).
What are the key properties of 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine?
3-nitropyridin-2-amine;5-nitropyrimidin-2-amine has a molecular weight of 279.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitropyridin-2-amine;5-nitropyrimidin-2-amine is sourced from PubChem (CID 86215059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).