disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride

C50H55Cl6N10Na2O20PS — CID 158683673

IUPACdisodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride
SMILESCCO.CCOC(=O)CC(=O)OCC.CCOC(=O)c1c([O-])nc2ncccc2c1[O-].CCOC(=O)c1cccnc1N.Cl.Clc1cc(Cl)c2cccnc2n1.Nc1ncccc1C(=O)O.O=P(Cl)(Cl)Cl.O=S(=O)(O)O.O=c1cc(O)c2cccnc2[nH]1.[Na+].[Na+]
InChIInChI=1S/C11H10N2O4.C8H4Cl2N2.C8H6N2O2.C8H10N2O2.C7H12O4.C6H6N2O2.C2H6O.Cl3OP.ClH.2Na.H2O4S/c1-2-17-11(16)7-8(14)6-4-3-5-12-9(6)13-10(7)15;9-6-4-7(10)12-8-5(6)2-1-3-11-8;11-6-4-7(12)10-8-5(6)2-1-3-9-8;1-2-12-8(11)6-4-3-5-10-7(6)9;1-3-10-6(8)5-7(9)11-4-2;7-5-4(6(9)10)2-1-3-8-5;1-2-3;1-5(2,3)4;;;;1-5(2,3)4/h3-5H,2H2,1H3,(H2,12,13,14,15);1-4H;1-4H,(H2,9,10,11,12);3-5H,2H2,1H3,(H2,9,10);3-5H2,1-2H3;1-3H,(H2,7,8)(H,9,10);3H,2H2,1H3;;1H;;;(H2,1,2,3,4)/q;;;;;;;;;2*+1;/p-2
InChIKeyYKUCGPGRKNFHLT-UHFFFAOYSA-L
MW1437.78 g/mol
LogP1.81
Rot. Bonds9

About disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride

disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride (PubChem CID 158683673) has the molecular formula C50H55Cl6N10Na2O20PS and a molecular weight of 1437.78 g/mol. Its IUPAC name is disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride.

Molecular Properties

Compound Namedisodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride
PubChem CID158683673
Molecular FormulaC50H55Cl6N10Na2O20PS
Molecular Weight1437.78 g/mol
Exact Mass1434.10
IUPAC Namedisodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride
SMILESCCO.CCOC(=O)CC(=O)OCC.CCOC(=O)c1c([O-])nc2ncccc2c1[O-].CCOC(=O)c1cccnc1N.Cl.Clc1cc(Cl)c2cccnc2n1.Nc1ncccc1C(=O)O.O=P(Cl)(Cl)Cl.O=S(=O)(O)O.O=c1cc(O)c2cccnc2[nH]1.[Na+].[Na+]
InChIInChI=1S/C11H10N2O4.C8H4Cl2N2.C8H6N2O2.C8H10N2O2.C7H12O4.C6H6N2O2.C2H6O.Cl3OP.ClH.2Na.H2O4S/c1-2-17-11(16)7-8(14)6-4-3-5-12-9(6)13-10(7)15;9-6-4-7(10)12-8-5(6)2-1-3-11-8;11-6-4-7(12)10-8-5(6)2-1-3-9-8;1-2-12-8(11)6-4-3-5-10-7(6)9;1-3-10-6(8)5-7(9)11-4-2;7-5-4(6(9)10)2-1-3-8-5;1-2-3;1-5(2,3)4;;;;1-5(2,3)4/h3-5H,2H2,1H3,(H2,12,13,14,15);1-4H;1-4H,(H2,9,10,11,12);3-5H,2H2,1H3,(H2,9,10);3-5H2,1-2H3;1-3H,(H2,7,8)(H,9,10);3H,2H2,1H3;;1H;;;(H2,1,2,3,4)/q;;;;;;;;;2*+1;/p-2
InChIKeyYKUCGPGRKNFHLT-UHFFFAOYSA-L
XLogP1.81
TPSA495.88 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.78
LogP ≤ 51.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride with MolForge

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Related Compounds

2-aminopyridine-3-carbaldehyde;diethyl propanedioate;ethyl 2-chloro-1,8-naphthyridine-3-carboxylate;ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate;2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide;methyl 2-methoxy-1,8-naphthyridine-3-carboxylate;phosphoryl trichloride;[3-(trifluoromethyl)phenyl]methanamine
CID 162178188

Frequently Asked Questions

What is the IUPAC name of disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride?
The IUPAC name of disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride (CID 158683673) is disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride.
What is the SMILES notation for disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride?
The canonical SMILES for disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride is CCO.CCOC(=O)CC(=O)OCC.CCOC(=O)c1c([O-])nc2ncccc2c1[O-].CCOC(=O)c1cccnc1N.Cl.Clc1cc(Cl)c2cccnc2n1.Nc1ncccc1C(=O)O.O=P(Cl)(Cl)Cl.O=S(=O)(O)O.O=c1cc(O)c2cccnc2[nH]1.[Na+].[Na+].
What is the InChIKey of disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride?
The InChIKey is YKUCGPGRKNFHLT-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10N2O4.C8H4Cl2N2.C8H6N2O2.C8H10N2O2.C7H12O4.C6H6N2O2.C2H6O.Cl3OP.ClH.2Na.H2O4S/c1-2-17-11(16)7-8(14)6-4-3-5-12-9(6)13-10(7)15;9-6-4-7(10)12-8-5(6)2-1-3-11-8;11-6-4-7(12)10-8-5(6)2-1-3-9-8;1-2-12-8(11)6-4-3-5-10-7(6)9;1-3-10-6(8)5-7(9)11-4-2;7-5-4(6(9)10)2-1-3-8-5;1-2-3;1-5(2,3)4;;;;1-5(2,3)4/h3-5H,2H2,1H3,(H2,12,13,14,15);1-4H;1-4H,(H2,9,10,11,12);3-5H,2H2,1H3,(H2,9,10);3-5H2,1-2H3;1-3H,(H2,7,8)(H,9,10);3H,2H2,1H3;;1H;;;(H2,1,2,3,4)/q;;;;;;;;;2*+1;/p-2.
What are the key properties of disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride?
disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride has a molecular weight of 1437.78 g/mol, XLogP of 1.81, 9 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-aminopyridine-3-carboxylic acid;2,4-dichloro-1,8-naphthyridine;diethyl propanedioate;ethanol;3-ethoxycarbonyl-1,8-naphthyridine-2,4-diolate;ethyl 2-aminopyridine-3-carboxylate;4-hydroxy-1H-1,8-naphthyridin-2-one;phosphoryl trichloride;sulfuric acid;hydrochloride is sourced from PubChem (CID 158683673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).