dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate

C38H60ClK2N9O11 — CID 159569645

IUPACdipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate
SMILESCO.COc1cnc(Cl)c([N+](=O)[O-])c1.COc1cnc(NC2CCCCC2)c(N)c1.COc1cnc(NC2CCCCC2)c([N+](=O)[O-])c1.NC1CCCCC1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C12H17N3O3.C12H19N3O.C6H5ClN2O3.C6H13N.CH2O3.CH4O.2K.H/c1-18-10-7-11(15(16)17)12(13-8-10)14-9-5-3-2-4-6-9;1-16-10-7-11(13)12(14-8-10)15-9-5-3-2-4-6-9;1-12-4-2-5(9(10)11)6(7)8-3-4;7-6-4-2-1-3-5-6;2-1-4-3;1-2;;;/h7-9H,2-6H2,1H3,(H,13,14);7-9H,2-6,13H2,1H3,(H,14,15);2-3H,1H3;6H,1-5,7H2;1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1
InChIKeyFHEBMPFVUHHHGT-UHFFFAOYSA-M
MW932.60 g/mol
LogP0.25
Rot. Bonds10

About dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate

dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate (PubChem CID 159569645) has the molecular formula C38H60ClK2N9O11 and a molecular weight of 932.60 g/mol. Its IUPAC name is dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate.

Molecular Properties

Compound Namedipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate
PubChem CID159569645
Molecular FormulaC38H60ClK2N9O11
Molecular Weight932.60 g/mol
Exact Mass931.34
IUPAC Namedipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate
SMILESCO.COc1cnc(Cl)c([N+](=O)[O-])c1.COc1cnc(NC2CCCCC2)c(N)c1.COc1cnc(NC2CCCCC2)c([N+](=O)[O-])c1.NC1CCCCC1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C12H17N3O3.C12H19N3O.C6H5ClN2O3.C6H13N.CH2O3.CH4O.2K.H/c1-18-10-7-11(15(16)17)12(13-8-10)14-9-5-3-2-4-6-9;1-16-10-7-11(13)12(14-8-10)15-9-5-3-2-4-6-9;1-12-4-2-5(9(10)11)6(7)8-3-4;7-6-4-2-1-3-5-6;2-1-4-3;1-2;;;/h7-9H,2-6H2,1H3,(H,13,14);7-9H,2-6,13H2,1H3,(H,14,15);2-3H,1H3;6H,1-5,7H2;1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1
InChIKeyFHEBMPFVUHHHGT-UHFFFAOYSA-M
XLogP0.25
TPSA298.33 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.60
LogP ≤ 50.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate?
The IUPAC name of dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate (CID 159569645) is dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate.
What is the SMILES notation for dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate?
The canonical SMILES for dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate is CO.COc1cnc(Cl)c([N+](=O)[O-])c1.COc1cnc(NC2CCCCC2)c(N)c1.COc1cnc(NC2CCCCC2)c([N+](=O)[O-])c1.NC1CCCCC1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate?
The InChIKey is FHEBMPFVUHHHGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17N3O3.C12H19N3O.C6H5ClN2O3.C6H13N.CH2O3.CH4O.2K.H/c1-18-10-7-11(15(16)17)12(13-8-10)14-9-5-3-2-4-6-9;1-16-10-7-11(13)12(14-8-10)15-9-5-3-2-4-6-9;1-12-4-2-5(9(10)11)6(7)8-3-4;7-6-4-2-1-3-5-6;2-1-4-3;1-2;;;/h7-9H,2-6H2,1H3,(H,13,14);7-9H,2-6,13H2,1H3,(H,14,15);2-3H,1H3;6H,1-5,7H2;1,3H;2H,1H3;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate?
dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate has a molecular weight of 932.60 g/mol, XLogP of 0.25, 10 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-chloro-5-methoxy-3-nitropyridine;cyclohexanamine;N-cyclohexyl-5-methoxy-3-nitropyridin-2-amine;2-N-cyclohexyl-5-methoxypyridine-2,3-diamine;hydride;methanol;oxido formate is sourced from PubChem (CID 159569645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).