potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride

C37H43Cl10KN13O18P — CID 158776891

IUPACpotassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride
SMILESC1COCCN1.Cl.Nc1cnc(N2CCOCC2)c(Cl)c1.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1cnc(Cl)c(Cl)c1.O=[N+]([O-])c1cnc(N2CCOCC2)c(Cl)c1.O=c1[nH]cc([N+](=O)[O-])cc1Cl.O=c1ccc([N+](=O)[O-])c[nH]1.[H][H].[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H10ClN3O3.C9H12ClN3O.C5H2Cl2N2O2.C5H3ClN2O3.C5H4N2O3.C4H9NO.Cl3OP.ClHO4.ClH.K.H2/c10-8-5-7(13(14)15)6-11-9(8)12-1-3-16-4-2-12;10-8-5-7(11)6-12-9(8)13-1-3-14-4-2-13;6-4-1-3(9(10)11)2-8-5(4)7;6-4-1-3(8(10)11)2-7-5(4)9;8-5-2-1-4(3-6-5)7(9)10;1-3-6-4-2-5-1;1-5(2,3)4;2-1(3,4)5;;;/h5-6H,1-4H2;5-6H,1-4,11H2;1-2H;1-2H,(H,7,9);1-3H,(H,6,8);5H,1-4H2;;(H,2,3,4,5);1H;;1H/q;;;;;;;;;+1;/p-1
InChIKeyPNYDXUFOYRGLMW-UHFFFAOYSA-M
MW1382.43 g/mol
LogP1.48
Rot. Bonds6

About potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride

potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride (PubChem CID 158776891) has the molecular formula C37H43Cl10KN13O18P and a molecular weight of 1382.43 g/mol. Its IUPAC name is potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride.

Molecular Properties

Compound Namepotassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride
PubChem CID158776891
Molecular FormulaC37H43Cl10KN13O18P
Molecular Weight1382.43 g/mol
Exact Mass1376.91
IUPAC Namepotassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride
SMILESC1COCCN1.Cl.Nc1cnc(N2CCOCC2)c(Cl)c1.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1cnc(Cl)c(Cl)c1.O=[N+]([O-])c1cnc(N2CCOCC2)c(Cl)c1.O=c1[nH]cc([N+](=O)[O-])cc1Cl.O=c1ccc([N+](=O)[O-])c[nH]1.[H][H].[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C9H10ClN3O3.C9H12ClN3O.C5H2Cl2N2O2.C5H3ClN2O3.C5H4N2O3.C4H9NO.Cl3OP.ClHO4.ClH.K.H2/c10-8-5-7(13(14)15)6-11-9(8)12-1-3-16-4-2-12;10-8-5-7(11)6-12-9(8)13-1-3-14-4-2-13;6-4-1-3(9(10)11)2-8-5(4)7;6-4-1-3(8(10)11)2-7-5(4)9;8-5-2-1-4(3-6-5)7(9)10;1-3-6-4-2-5-1;1-5(2,3)4;2-1(3,4)5;;;/h5-6H,1-4H2;5-6H,1-4,11H2;1-2H;1-2H,(H,7,9);1-3H,(H,6,8);5H,1-4H2;;(H,2,3,4,5);1H;;1H/q;;;;;;;;;+1;/p-1
InChIKeyPNYDXUFOYRGLMW-UHFFFAOYSA-M
XLogP1.48
TPSA458.48 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001382.43
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride?
The IUPAC name of potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride (CID 158776891) is potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride.
What is the SMILES notation for potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride?
The canonical SMILES for potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride is C1COCCN1.Cl.Nc1cnc(N2CCOCC2)c(Cl)c1.O=P(Cl)(Cl)Cl.O=[N+]([O-])c1cnc(Cl)c(Cl)c1.O=[N+]([O-])c1cnc(N2CCOCC2)c(Cl)c1.O=c1[nH]cc([N+](=O)[O-])cc1Cl.O=c1ccc([N+](=O)[O-])c[nH]1.[H][H].[K+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride?
The InChIKey is PNYDXUFOYRGLMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10ClN3O3.C9H12ClN3O.C5H2Cl2N2O2.C5H3ClN2O3.C5H4N2O3.C4H9NO.Cl3OP.ClHO4.ClH.K.H2/c10-8-5-7(13(14)15)6-11-9(8)12-1-3-16-4-2-12;10-8-5-7(11)6-12-9(8)13-1-3-14-4-2-13;6-4-1-3(9(10)11)2-8-5(4)7;6-4-1-3(8(10)11)2-7-5(4)9;8-5-2-1-4(3-6-5)7(9)10;1-3-6-4-2-5-1;1-5(2,3)4;2-1(3,4)5;;;/h5-6H,1-4H2;5-6H,1-4,11H2;1-2H;1-2H,(H,7,9);1-3H,(H,6,8);5H,1-4H2;;(H,2,3,4,5);1H;;1H/q;;;;;;;;;+1;/p-1.
What are the key properties of potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride?
potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride has a molecular weight of 1382.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-chloro-6-morpholin-4-ylpyridin-3-amine;3-chloro-5-nitro-1H-pyridin-2-one;4-(3-chloro-5-nitro-2-pyridinyl)morpholine;2,3-dichloro-5-nitropyridine;molecular hydrogen;morpholine;5-nitro-1H-pyridin-2-one;phosphoryl trichloride;perchlorate;hydrochloride is sourced from PubChem (CID 158776891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).