3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine

C11H5N7O10 — CID 3106274

IUPAC3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C11H5N7O10/c19-14(20)5-1-7(16(23)24)10(8(2-5)17(25)26)13-11-9(18(27)28)3-6(4-12-11)15(21)22/h1-4H,(H,12,13)
InChIKeyYNCRJDVIFSGCTH-UHFFFAOYSA-N
MW395.20 g/mol
LogP2.37
Rot. Bonds7

About 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine

3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine (PubChem CID 3106274) has the molecular formula C11H5N7O10 and a molecular weight of 395.20 g/mol. Its IUPAC name is 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine
PubChem CID3106274
Molecular FormulaC11H5N7O10
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC Name3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C11H5N7O10/c19-14(20)5-1-7(16(23)24)10(8(2-5)17(25)26)13-11-9(18(27)28)3-6(4-12-11)15(21)22/h1-4H,(H,12,13)
InChIKeyYNCRJDVIFSGCTH-UHFFFAOYSA-N
XLogP2.37
TPSA240.62 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine?
The IUPAC name of 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine (CID 3106274) is 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine is O=[N+]([O-])c1cnc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine?
The InChIKey is YNCRJDVIFSGCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N7O10/c19-14(20)5-1-7(16(23)24)10(8(2-5)17(25)26)13-11-9(18(27)28)3-6(4-12-11)15(21)22/h1-4H,(H,12,13).
What are the key properties of 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine?
3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine has a molecular weight of 395.20 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-N-(2,4,6-trinitrophenyl)pyridin-2-amine is sourced from PubChem (CID 3106274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).