carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium

C28H33Cl4N6O10Pd- — CID 158294508

IUPACcarbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium
SMILESNc1cc(Cl)cnc1O[C@@H]1CCOC1.O=[N+]([O-])c1cc(Cl)cnc1Cl.O=[N+]([O-])c1cc(Cl)cnc1O[C@@H]1CCOC1.O[C@@H]1CCOC1.[CH3-].[Pd]
InChIInChI=1S/C9H9ClN2O4.C9H11ClN2O2.C5H2Cl2N2O2.C4H8O2.CH3.Pd/c10-6-3-8(12(13)14)9(11-4-6)16-7-1-2-15-5-7;10-6-3-8(11)9(12-4-6)14-7-1-2-13-5-7;6-3-1-4(9(10)11)5(7)8-2-3;5-4-1-2-6-3-4;;/h3-4,7H,1-2,5H2;3-4,7H,1-2,5,11H2;1-2H;4-5H,1-3H2;1H3;/q;;;;-1;/t2*7-;;4-;;/m11.1../s1
InChIKeyQFEJAIVINIUKTN-DZAXWWNNSA-N
MW861.84 g/mol
LogP5.81
Rot. Bonds6

About carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium

carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium (PubChem CID 158294508) has the molecular formula C28H33Cl4N6O10Pd- and a molecular weight of 861.84 g/mol. Its IUPAC name is carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium.

Molecular Properties

Compound Namecarbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium
PubChem CID158294508
Molecular FormulaC28H33Cl4N6O10Pd-
Molecular Weight861.84 g/mol
Exact Mass859.01
IUPAC Namecarbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium
SMILESNc1cc(Cl)cnc1O[C@@H]1CCOC1.O=[N+]([O-])c1cc(Cl)cnc1Cl.O=[N+]([O-])c1cc(Cl)cnc1O[C@@H]1CCOC1.O[C@@H]1CCOC1.[CH3-].[Pd]
InChIInChI=1S/C9H9ClN2O4.C9H11ClN2O2.C5H2Cl2N2O2.C4H8O2.CH3.Pd/c10-6-3-8(12(13)14)9(11-4-6)16-7-1-2-15-5-7;10-6-3-8(11)9(12-4-6)14-7-1-2-13-5-7;6-3-1-4(9(10)11)5(7)8-2-3;5-4-1-2-6-3-4;;/h3-4,7H,1-2,5H2;3-4,7H,1-2,5,11H2;1-2H;4-5H,1-3H2;1H3;/q;;;;-1;/t2*7-;;4-;;/m11.1../s1
InChIKeyQFEJAIVINIUKTN-DZAXWWNNSA-N
XLogP5.81
TPSA217.35 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500861.84
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium?
The IUPAC name of carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium (CID 158294508) is carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium.
What is the SMILES notation for carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium?
The canonical SMILES for carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium is Nc1cc(Cl)cnc1O[C@@H]1CCOC1.O=[N+]([O-])c1cc(Cl)cnc1Cl.O=[N+]([O-])c1cc(Cl)cnc1O[C@@H]1CCOC1.O[C@@H]1CCOC1.[CH3-].[Pd].
What is the InChIKey of carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium?
The InChIKey is QFEJAIVINIUKTN-DZAXWWNNSA-N. The full InChI is InChI=1S/C9H9ClN2O4.C9H11ClN2O2.C5H2Cl2N2O2.C4H8O2.CH3.Pd/c10-6-3-8(12(13)14)9(11-4-6)16-7-1-2-15-5-7;10-6-3-8(11)9(12-4-6)14-7-1-2-13-5-7;6-3-1-4(9(10)11)5(7)8-2-3;5-4-1-2-6-3-4;;/h3-4,7H,1-2,5H2;3-4,7H,1-2,5,11H2;1-2H;4-5H,1-3H2;1H3;/q;;;;-1;/t2*7-;;4-;;/m11.1../s1.
What are the key properties of carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium?
carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium has a molecular weight of 861.84 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;5-chloro-3-nitro-2-[(3R)-oxolan-3-yl]oxypyridine;5-chloro-2-[(3R)-oxolan-3-yl]oxypyridin-3-amine;2,5-dichloro-3-nitropyridine;(3R)-oxolan-3-ol;palladium is sourced from PubChem (CID 158294508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).