magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide

C75H96BrCl3F5MgN27O15 — CID 160710944

IUPACmagnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide
SMILESCC(C)(O)c1cc(F)ncc1N.CC(C)(O)c1cc(F)ncc1Nc1ncnc(Cl)n1.COC(=O)c1cc(F)ncc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cnc(F)cc2C(C)(C)O)n1.Clc1ncnc(Cl)n1.Nc1cnc(F)cc1C(=O)O.OC1CCCO1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H30FN9O4.C12H20N4O3.C11H11ClFN5O.C8H11FN2O.C7H7FN2O2.C6H5FN2O2.C4H8O2.C3HCl2N3.CH3.BrH.Mg/c1-23(2,34)14-9-20(24)25-12-16(14)29-22-27-13-26-21(30-22)28-15-10-18(33(35)36)17(11-19(15)37-6)32(5)8-7-31(3)4;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-11(2,19)6-3-8(13)14-4-7(6)17-10-16-5-15-9(12)18-10;1-8(2,12)5-3-7(9)11-4-6(5)10;1-12-7(11)4-2-6(8)10-3-5(4)9;7-5-1-3(6(10)11)4(8)2-9-5;5-4-2-1-3-6-4;4-2-6-1-7-3(5)8-2;;;/h9-13,34H,7-8H2,1-6H3,(H2,26,27,28,29,30);7-8H,5-6,13H2,1-4H3;3-5,19H,1-2H3,(H,15,16,17,18);3-4,12H,10H2,1-2H3;2-3H,9H2,1H3;1-2H,8H2,(H,10,11);4-5H,1-3H2;1H;1H3;1H;/q;;;;;;;;-1;;+2/p-1
InChIKeyNKBBOISYNDDSPJ-UHFFFAOYSA-M
MW1921.32 g/mol
LogP6.74
Rot. Bonds23

About magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide

magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide (PubChem CID 160710944) has the molecular formula C75H96BrCl3F5MgN27O15 and a molecular weight of 1921.32 g/mol. Its IUPAC name is magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide.

Molecular Properties

Compound Namemagnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide
PubChem CID160710944
Molecular FormulaC75H96BrCl3F5MgN27O15
Molecular Weight1921.32 g/mol
Exact Mass1917.56
IUPAC Namemagnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide
SMILESCC(C)(O)c1cc(F)ncc1N.CC(C)(O)c1cc(F)ncc1Nc1ncnc(Cl)n1.COC(=O)c1cc(F)ncc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cnc(F)cc2C(C)(C)O)n1.Clc1ncnc(Cl)n1.Nc1cnc(F)cc1C(=O)O.OC1CCCO1.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C23H30FN9O4.C12H20N4O3.C11H11ClFN5O.C8H11FN2O.C7H7FN2O2.C6H5FN2O2.C4H8O2.C3HCl2N3.CH3.BrH.Mg/c1-23(2,34)14-9-20(24)25-12-16(14)29-22-27-13-26-21(30-22)28-15-10-18(33(35)36)17(11-19(15)37-6)32(5)8-7-31(3)4;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-11(2,19)6-3-8(13)14-4-7(6)17-10-16-5-15-9(12)18-10;1-8(2,12)5-3-7(9)11-4-6(5)10;1-12-7(11)4-2-6(8)10-3-5(4)9;7-5-1-3(6(10)11)4(8)2-9-5;5-4-2-1-3-6-4;4-2-6-1-7-3(5)8-2;;;/h9-13,34H,7-8H2,1-6H3,(H2,26,27,28,29,30);7-8H,5-6,13H2,1-4H3;3-5,19H,1-2H3,(H,15,16,17,18);3-4,12H,10H2,1-2H3;2-3H,9H2,1H3;1-2H,8H2,(H,10,11);4-5H,1-3H2;1H;1H3;1H;/q;;;;;;;;-1;;+2/p-1
InChIKeyNKBBOISYNDDSPJ-UHFFFAOYSA-M
XLogP6.74
TPSA592.08 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001921.32
LogP ≤ 56.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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'}

Analyze magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide?
The IUPAC name of magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide (CID 160710944) is magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide.
What is the SMILES notation for magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide?
The canonical SMILES for magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide is CC(C)(O)c1cc(F)ncc1N.CC(C)(O)c1cc(F)ncc1Nc1ncnc(Cl)n1.COC(=O)c1cc(F)ncc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2cnc(F)cc2C(C)(C)O)n1.Clc1ncnc(Cl)n1.Nc1cnc(F)cc1C(=O)O.OC1CCCO1.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide?
The InChIKey is NKBBOISYNDDSPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H30FN9O4.C12H20N4O3.C11H11ClFN5O.C8H11FN2O.C7H7FN2O2.C6H5FN2O2.C4H8O2.C3HCl2N3.CH3.BrH.Mg/c1-23(2,34)14-9-20(24)25-12-16(14)29-22-27-13-26-21(30-22)28-15-10-18(33(35)36)17(11-19(15)37-6)32(5)8-7-31(3)4;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-11(2,19)6-3-8(13)14-4-7(6)17-10-16-5-15-9(12)18-10;1-8(2,12)5-3-7(9)11-4-6(5)10;1-12-7(11)4-2-6(8)10-3-5(4)9;7-5-1-3(6(10)11)4(8)2-9-5;5-4-2-1-3-6-4;4-2-6-1-7-3(5)8-2;;;/h9-13,34H,7-8H2,1-6H3,(H2,26,27,28,29,30);7-8H,5-6,13H2,1-4H3;3-5,19H,1-2H3,(H,15,16,17,18);3-4,12H,10H2,1-2H3;2-3H,9H2,1H3;1-2H,8H2,(H,10,11);4-5H,1-3H2;1H;1H3;1H;/q;;;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide?
magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide has a molecular weight of 1921.32 g/mol, XLogP of 6.74, 23 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-amino-2-fluoropyridine-4-carboxylic acid;2-(5-amino-2-fluoro-4-pyridinyl)propan-2-ol;carbanide;2-[5-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-fluoro-4-pyridinyl]propan-2-ol;2,4-dichloro-1,3,5-triazine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;2-[5-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]-2-fluoro-4-pyridinyl]propan-2-ol;methyl 5-amino-2-fluoropyridine-4-carboxylate;oxolan-2-ol;bromide is sourced from PubChem (CID 160710944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).