dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate

C35H46ClCs2N9O10 — CID 159319095

About dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate

dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate (PubChem CID 159319095) has the molecular formula C35H46ClCs2N9O10 and a molecular weight of 1054.07 g/mol. Its IUPAC name is dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate.

Molecular Properties

• Compound Name: dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate
• PubChem CID: 159319095
• Molecular Formula: C35H46ClCs2N9O10
• Molecular Weight: 1054.07 g/mol
• Exact Mass: 1053.12
• IUPAC Name: dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate
• SMILES: C.C.C.Cc1ccc[nH]c1=O.Nc1ccc(N2CCCCC2=O)nc1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1.O=c1ccccn1-c1ccc([N+](=O)[O-])cn1.[Cs+].[Cs+].[H-].[H][H]
• InChI: InChI=1S/C10H7N3O3.C10H13N3O.C6H7NO.C5H3ClN2O2.CH2O3.3CH4.2Cs.H2.H/c14-10-3-1-2-6-12(10)9-5-4-8(7-11-9)13(15)16;11-8-4-5-9(12-7-8)13-6-2-1-3-10(13)14;1-5-3-2-4-7-6(5)8;6-5-2-1-4(3-7-5)8(9)10;2-1-4-3;;;;;;;/h1-7H;4-5,7H,1-3,6,11H2;2-4H,1H3,(H,7,8);1-3H;1,3H;3*1H4;;;1H;/q;;;;;;;;2*+1;;-1/p-1
• InChIKey: QHVNLWPAQQRSLB-UHFFFAOYSA-M
• XLogP: -0.64
• TPSA: 275.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1054.07
LogP ≤ 5	-0.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate?

The IUPAC name of dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate (CID 159319095) is dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate.

What is the SMILES notation for dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate?

The canonical SMILES for dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate is C.C.C.Cc1ccc[nH]c1=O.Nc1ccc(N2CCCCC2=O)nc1.O=CO[O-].O=[N+]([O-])c1ccc(Cl)nc1.O=c1ccccn1-c1ccc([N+](=O)[O-])cn1.[Cs+].[Cs+].[H-].[H][H].

What is the InChIKey of dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate?

The InChIKey is QHVNLWPAQQRSLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7N3O3.C10H13N3O.C6H7NO.C5H3ClN2O2.CH2O3.3CH4.2Cs.H2.H/c14-10-3-1-2-6-12(10)9-5-4-8(7-11-9)13(15)16;11-8-4-5-9(12-7-8)13-6-2-1-3-10(13)14;1-5-3-2-4-7-6(5)8;6-5-2-1-4(3-7-5)8(9)10;2-1-4-3;;;;;;;/h1-7H;4-5,7H,1-3,6,11H2;2-4H,1H3,(H,7,8);1-3H;1,3H;3*1H4;;;1H;/q;;;;;;;;2*+1;;-1/p-1.

What are the key properties of dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate?

dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate has a molecular weight of 1054.07 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate is sourced from PubChem (CID 159319095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).