3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine

C15H11N7O4 — CID 2846765

IUPAC3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)nc1Nc1ccccn1
InChIInChI=1S/C15H11N7O4/c23-21(24)10-9-11(22(25)26)15(19-13-6-2-4-8-17-13)20-14(10)18-12-5-1-3-7-16-12/h1-9H,(H2,16,17,18,19,20)
InChIKeyYAENEARBFRCEEJ-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.18
Rot. Bonds6

About 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine

3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine (PubChem CID 2846765) has the molecular formula C15H11N7O4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine
PubChem CID2846765
Molecular FormulaC15H11N7O4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)nc1Nc1ccccn1
InChIInChI=1S/C15H11N7O4/c23-21(24)10-9-11(22(25)26)15(19-13-6-2-4-8-17-13)20-14(10)18-12-5-1-3-7-16-12/h1-9H,(H2,16,17,18,19,20)
InChIKeyYAENEARBFRCEEJ-UHFFFAOYSA-N
XLogP3.18
TPSA149.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.18
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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Related Compounds

5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
CID 3623508
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine
CID 4657246
amino-[2-methyl-5-nitro-8-(pyridin-2-ylamino)quinolin-7-yl]-oxoazanium
CID 23763738
3,5-dinitro-N-pyridin-2-yl-2-(pyridin-2-ylamino)benzamide
CID 4027518
3,5-dinitro-2-N,6-N-bis(2,3,4,5,6-pentanitrophenyl)pyridine-2,6-diamine
CID 136726865
5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527227
N-(2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 37104675
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitro-6-N-[(1S)-1-pyridin-2-ylethyl]pyridine-2,6-diamine
CID 69150109
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
3-nitro-2-N,6-N-diphenylpyridine-2,6-diamine
CID 2783708

Frequently Asked Questions

What is the IUPAC name of 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine?
The IUPAC name of 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine (CID 2846765) is 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine is O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)nc1Nc1ccccn1.
What is the InChIKey of 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine?
The InChIKey is YAENEARBFRCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O4/c23-21(24)10-9-11(22(25)26)15(19-13-6-2-4-8-17-13)20-14(10)18-12-5-1-3-7-16-12/h1-9H,(H2,16,17,18,19,20).
What are the key properties of 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine?
3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine has a molecular weight of 353.30 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 2846765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).