5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine

C21H19N3O4 — CID 139121601

IUPAC5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine
SMILESO=[N+]([O-])C[C@@H](c1ccccc1)[C@H](Cc1ccccc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C21H19N3O4/c25-23(26)15-20(17-9-5-2-6-10-17)19(13-16-7-3-1-4-8-16)21-12-11-18(14-22-21)24(27)28/h1-12,14,19-20H,13,15H2/t19-,20-/m0/s1
InChIKeyCORDCDVGJMZLQJ-PMACEKPBSA-N
MW377.40 g/mol
LogP4.38
Rot. Bonds8

About 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine

5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine (PubChem CID 139121601) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine.

Molecular Properties

Compound Name5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine
PubChem CID139121601
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine
SMILESO=[N+]([O-])C[C@@H](c1ccccc1)[C@H](Cc1ccccc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C21H19N3O4/c25-23(26)15-20(17-9-5-2-6-10-17)19(13-16-7-3-1-4-8-16)21-12-11-18(14-22-21)24(27)28/h1-12,14,19-20H,13,15H2/t19-,20-/m0/s1
InChIKeyCORDCDVGJMZLQJ-PMACEKPBSA-N
XLogP4.38
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
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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Related Compounds

8-Nitroquinoline
CID 11830
4-(4-Nitrobenzyl)pyridine
CID 14129
2,3-Diphenylpyrazine
CID 243907
2-[(2,4-Dinitrophenyl)methyl]pyridine
CID 70854
7-Methyl-8-nitroquinoline
CID 81981
Pyridine, 2-((4-nitrophenyl)methyl)-
CID 69292
2,5-Diphenylpyrazine
CID 220958
4-(4-Nitrophenyl)pyridine
CID 259219
2-(3-Nitrophenyl)pyridine
CID 459555
2-(4-Nitrophenyl)pyridine
CID 459556
2-[(E)-2-(4-nitrophenyl)vinyl]pyridine
CID 5376482
4,4'-Diphenyl-2,2'-bipyridine
CID 80259

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine?
The IUPAC name of 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine (CID 139121601) is 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine.
What is the SMILES notation for 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine?
The canonical SMILES for 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine is O=[N+]([O-])C[C@@H](c1ccccc1)[C@H](Cc1ccccc1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine?
The InChIKey is CORDCDVGJMZLQJ-PMACEKPBSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-23(26)15-20(17-9-5-2-6-10-17)19(13-16-7-3-1-4-8-16)21-12-11-18(14-22-21)24(27)28/h1-12,14,19-20H,13,15H2/t19-,20-/m0/s1.
What are the key properties of 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine?
5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine has a molecular weight of 377.40 g/mol, XLogP of 4.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[(2S,3R)-4-nitro-1,3-diphenylbutan-2-yl]pyridine is sourced from PubChem (CID 139121601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).