(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium

C81H71F10N15O25 — CID 158453885

IUPAC(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium
SMILESCOc1cc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ncc1[N+](=O)[O-].COc1cc(C(=O)O)ncc1[N+](=O)[O-].COc1cc(C)ncc1[N+](=O)[O-].COc1cc[n+]([O-])c(C)c1.COc1ccnc(C)c1.Cc1cc([N+](=O)[O-])cc[n+]1[O-].Cc1cccc[n+]1[O-].O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1cc(=O)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C21H14F5N3O5.C20H12F5N3O5.C7H6N2O5.C7H8N2O3.C7H9NO2.C7H9NO.C6H6N2O3.C6H7NO/c1-33-19-9-15(28-10-16(19)29(31)32)17(30)8-12(20-13(22)3-2-6-27-20)11-4-5-18(14(23)7-11)34-21(24,25)26;21-12-2-1-5-26-19(12)11(10-3-4-18(13(22)6-10)33-20(23,24)25)7-16(29)14-8-17(30)15(9-27-14)28(31)32;1-14-6-2-4(7(10)11)8-3-5(6)9(12)13;1-5-3-7(12-2)6(4-8-5)9(10)11;1-6-5-7(10-2)3-4-8(6)9;1-6-5-7(9-2)3-4-8-6;1-5-4-6(8(10)11)2-3-7(5)9;1-6-4-2-3-5-7(6)8/h2-7,9-10,12H,8H2,1H3;1-6,8-9,11H,7H2,(H,27,30);2-3H,1H3,(H,10,11);3-4H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3/t12-;11-;;;;;;/m00....../s1
InChIKeyHEIHKYGIQOHYDA-VVGDSXICSA-N
MW1844.52 g/mol
LogP14.44
Rot. Bonds23

About (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium

(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium (PubChem CID 158453885) has the molecular formula C81H71F10N15O25 and a molecular weight of 1844.52 g/mol. Its IUPAC name is (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium
PubChem CID158453885
Molecular FormulaC81H71F10N15O25
Molecular Weight1844.52 g/mol
Exact Mass1843.46
IUPAC Name(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium
SMILESCOc1cc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ncc1[N+](=O)[O-].COc1cc(C(=O)O)ncc1[N+](=O)[O-].COc1cc(C)ncc1[N+](=O)[O-].COc1cc[n+]([O-])c(C)c1.COc1ccnc(C)c1.Cc1cc([N+](=O)[O-])cc[n+]1[O-].Cc1cccc[n+]1[O-].O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1cc(=O)c([N+](=O)[O-])c[nH]1
InChIInChI=1S/C21H14F5N3O5.C20H12F5N3O5.C7H6N2O5.C7H8N2O3.C7H9NO2.C7H9NO.C6H6N2O3.C6H7NO/c1-33-19-9-15(28-10-16(19)29(31)32)17(30)8-12(20-13(22)3-2-6-27-20)11-4-5-18(14(23)7-11)34-21(24,25)26;21-12-2-1-5-26-19(12)11(10-3-4-18(13(22)6-10)33-20(23,24)25)7-16(29)14-8-17(30)15(9-27-14)28(31)32;1-14-6-2-4(7(10)11)8-3-5(6)9(12)13;1-5-3-7(12-2)6(4-8-5)9(10)11;1-6-5-7(10-2)3-4-8(6)9;1-6-5-7(9-2)3-4-8-6;1-5-4-6(8(10)11)2-3-7(5)9;1-6-4-2-3-5-7(6)8/h2-7,9-10,12H,8H2,1H3;1-6,8-9,11H,7H2,(H,27,30);2-3H,1H3,(H,10,11);3-4H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3/t12-;11-;;;;;;/m00....../s1
InChIKeyHEIHKYGIQOHYDA-VVGDSXICSA-N
XLogP14.44
TPSA542.77 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.52
LogP ≤ 514.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(5-amino-2-methyl-3-pyridinyl)carbamate;tert-butyl N-(2-methyl-5-nitro-3-pyridinyl)carbamate;tert-butyl N-[2-methyl-5-[2-oxo-2-[3-(trifluoromethoxy)phenyl]ethyl]-3-pyridinyl]carbamate;methane;methanol;3-(trifluoromethoxy)benzoic acid
CID 157076456
(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium
CID 157344896
(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;(Z)-N,N-dimethyl-4-methylimino-5-phenylpent-2-en-2-amine;(Z)-1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine;methyl 4-(dimethylamino)pyridine-2-carboxylate;methyl 3-fluoropyridine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 4-methoxypyridine-2-carboxylate;methyl 4-methylpyridine-2-carboxylate;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;methyl 3-(trifluoromethyl)pyridine-2-carboxylate;methyl 5-(trifluoromethyl)pyridine-2-carboxylate;(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 158073996
3-amino-6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-1H-pyridin-2-one;6-chloro-2-methyl-3-nitropyridine;6-chloro-3-nitro-1H-pyridin-2-one;6-ethenyl-2-methyl-3-nitropyridine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-nitro-6-phenylmethoxy-2-pyridinyl)propan-1-one;6-methyl-5-nitropyridine-2-carbaldehyde;6-methyl-5-nitropyridine-2-carboxylic acid
CID 158246716
2,5-dimethyl-4-nitro-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,5-dimethylpyridine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-4-nitro-2-pyridinyl)propan-1-one;methanol;5-methyl-4-nitropyridine-2-carbaldehyde;5-methyl-4-nitropyridine-2-carboxylic acid;(5-methyl-4-nitro-2-pyridinyl)methanol;6-methylpyridin-3-ol
CID 158552924
(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol;hydrochloride
CID 158864802
(3S)-1-(4-amino-5-methoxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;2,5-dimethyl-4-nitro-1-oxidopyridin-1-ium;2,5-dimethyl-1-oxidopyridin-1-ium;2,5-dimethylpyridine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-4-nitro-2-pyridinyl)propan-1-one;methanol;5-methyl-4-nitropyridine-2-carbaldehyde;5-methyl-4-nitropyridine-2-carboxylic acid;(5-methyl-4-nitro-2-pyridinyl)methanol;6-methylpyridin-3-ol
CID 159730816
(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;methyl 4-(dimethylamino)pyridine-2-carboxylate;methyl 3-fluoropyridine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 4-methoxypyridine-2-carboxylate;methyl 4-methylpyridine-2-carboxylate;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;methyl 3-(trifluoromethyl)pyridine-2-carboxylate;methyl 5-(trifluoromethyl)pyridine-2-carboxylate
CID 160001894
(3S)-1-(6-amino-5-hydroxy-2-pyridinyl)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-one;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-hydroxy-6-nitro-2-pyridinyl)propan-1-one;(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methanamine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-methoxy-6-nitro-2-pyridinyl)propan-1-one;methanol;3-methoxy-6-methyl-2-nitropyridine;(5-methoxy-6-nitro-2-pyridinyl) formate;6-methyl-2-nitropyridin-3-ol;hydrochloride
CID 160360814
3-amino-6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-1H-pyridin-2-one;6-chloro-2-methyl-3-nitropyridine;6-chloro-3-nitro-1H-pyridin-2-one;6-ethenyl-2-methyl-3-nitropyridine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(5-nitro-6-phenylmethoxy-2-pyridinyl)propan-1-one;6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-3H-furo[2,3-b]pyridin-2-one;6-methyl-5-nitropyridine-2-carbaldehyde;6-methyl-5-nitropyridine-2-carboxylic acid
CID 160569939
2,4-dimethyl-5-nitropyridine;2,4-dimethyl-1-oxidopyridin-1-ium;2,4-dimethylpyridine;(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;2-methyl-4-nitro-1-oxidopyridin-1-ium;4-methyl-5-nitropyridine-2-carboxylic acid;2-methyl-1-oxidopyridin-1-ium
CID 160974164
Carbon dioxide;bis(2,3-dimethyl-6-propan-2-ylpyridine);3,5-dimethyl-2-propan-2-ylpyridine;3,6-dimethyl-2-propan-2-ylpyridine;3-fluoro-2-methyl-6-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-6-methyl-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine-4-carboxylic acid;3-methoxy-2-methyl-6-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;3-propan-2-yl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 161094966

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium?
The IUPAC name of (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium (CID 158453885) is (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium.
What is the SMILES notation for (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium?
The canonical SMILES for (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium is COc1cc(C(=O)C[C@@H](c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)ncc1[N+](=O)[O-].COc1cc(C(=O)O)ncc1[N+](=O)[O-].COc1cc(C)ncc1[N+](=O)[O-].COc1cc[n+]([O-])c(C)c1.COc1ccnc(C)c1.Cc1cc([N+](=O)[O-])cc[n+]1[O-].Cc1cccc[n+]1[O-].O=C(C[C@@H](c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1cc(=O)c([N+](=O)[O-])c[nH]1.
What is the InChIKey of (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium?
The InChIKey is HEIHKYGIQOHYDA-VVGDSXICSA-N. The full InChI is InChI=1S/C21H14F5N3O5.C20H12F5N3O5.C7H6N2O5.C7H8N2O3.C7H9NO2.C7H9NO.C6H6N2O3.C6H7NO/c1-33-19-9-15(28-10-16(19)29(31)32)17(30)8-12(20-13(22)3-2-6-27-20)11-4-5-18(14(23)7-11)34-21(24,25)26;21-12-2-1-5-26-19(12)11(10-3-4-18(13(22)6-10)33-20(23,24)25)7-16(29)14-8-17(30)15(9-27-14)28(31)32;1-14-6-2-4(7(10)11)8-3-5(6)9(12)13;1-5-3-7(12-2)6(4-8-5)9(10)11;1-6-5-7(10-2)3-4-8(6)9;1-6-5-7(9-2)3-4-8-6;1-5-4-6(8(10)11)2-3-7(5)9;1-6-4-2-3-5-7(6)8/h2-7,9-10,12H,8H2,1H3;1-6,8-9,11H,7H2,(H,27,30);2-3H,1H3,(H,10,11);3-4H,1-2H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;2-5H,1H3/t12-;11-;;;;;;/m00....../s1.
What are the key properties of (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium?
(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium has a molecular weight of 1844.52 g/mol, XLogP of 14.44, 23 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-methoxy-5-nitro-2-pyridinyl)propan-1-one;2-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]-5-nitro-1H-pyridin-4-one;4-methoxy-2-methyl-5-nitropyridine;4-methoxy-2-methyl-1-oxidopyridin-1-ium;4-methoxy-2-methylpyridine;4-methoxy-5-nitropyridine-2-carboxylic acid;2-methyl-4-nitro-1-oxidopyridin-1-ium;2-methyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 158453885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).