4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate

C60H72Cl6MnN10O16 — CID 159373533

IUPAC4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate
SMILESCCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1N.CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC.COC(=O)CC(C)C.COc1ccc(CN)c(OC)c1.Nc1cc(Cl)ncc1C=O.Nc1cc(Cl)ncc1CO.O=[Mn]=O
InChIInChI=1S/C17H19ClN2O4.C9H13NO2.C8H7Cl2NO2.C8H9ClN2O2.C6H7ClN2O.C6H5ClN2O.C6H12O2.Mn.2O/c1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3;1-11-8-4-3-7(6-10)9(5-8)12-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-2-13-8(12)5-4-11-7(9)3-6(5)10;2*7-6-1-5(8)4(3-10)2-9-6;1-5(2)4-6(7)8-3;;;/h5-8,10H,4,9H2,1-3H3,(H,19,20);3-5H,6,10H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,10,11);1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);5H,4H2,1-3H3;;;
InChIKeyNXCARRRUDZKRMD-UHFFFAOYSA-N
MW1456.95 g/mol
LogP11.67
Rot. Bonds18

About 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate

4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate (PubChem CID 159373533) has the molecular formula C60H72Cl6MnN10O16 and a molecular weight of 1456.95 g/mol. Its IUPAC name is 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate.

Molecular Properties

Compound Name4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate
PubChem CID159373533
Molecular FormulaC60H72Cl6MnN10O16
Molecular Weight1456.95 g/mol
Exact Mass1453.26
IUPAC Name4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate
SMILESCCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1N.CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC.COC(=O)CC(C)C.COc1ccc(CN)c(OC)c1.Nc1cc(Cl)ncc1C=O.Nc1cc(Cl)ncc1CO.O=[Mn]=O
InChIInChI=1S/C17H19ClN2O4.C9H13NO2.C8H7Cl2NO2.C8H9ClN2O2.C6H7ClN2O.C6H5ClN2O.C6H12O2.Mn.2O/c1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3;1-11-8-4-3-7(6-10)9(5-8)12-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-2-13-8(12)5-4-11-7(9)3-6(5)10;2*7-6-1-5(8)4(3-10)2-9-6;1-5(2)4-6(7)8-3;;;/h5-8,10H,4,9H2,1-3H3,(H,19,20);3-5H,6,10H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,10,11);1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);5H,4H2,1-3H3;;;
InChIKeyNXCARRRUDZKRMD-UHFFFAOYSA-N
XLogP11.67
TPSA394.12 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001456.95
LogP ≤ 511.67
H-Bond Donors ≤ 56
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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 159800729
4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-3-phenyl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1H-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-phenylacetate;methane;2,2,2-trifluoroacetaldehyde
CID 160351090
sodium;2,6-dihydroxybenzaldehyde;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-hexoxy-6-hydroxybenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;methane;2-(2-methoxyethyl)pyridine-3-carboxylic acid;[2-(2-methoxyethyl)-3-pyridinyl]methanone;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;piperidin-2-ylmethanol
CID 157115719
4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;7-chloro-3-propan-2-yl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-phenyl-3-propan-2-yl-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate;phenylboronic acid
CID 157156354
bis(carbon dioxide);6-chloro-5-methyl-4-(methylamino)pyridine-3-carbaldehyde;[6-chloro-5-methyl-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-5-methyl-4-(methylamino)pyridine-3-carboxylate;bis(ethyl 4,6-dichloro-5-methylpyridine-3-carboxylate);ethyl 4-hydroxy-5-methyl-6-oxo-1H-pyridine-3-carboxylate;ethyl 2-methyl-3-oxohexanoate;ethyl 3-oxohexanoate;methyl 2-(3,5-dimethoxyphenyl)acetate;phosphoryl trichloride
CID 157348475
CID 157629772
CID 157629772
4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-3-phenyl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1H-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-phenylacetate
CID 158994503
4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate
CID 159094198
2-chloro-3,4-bis(chloromethyl)pyridine;4-chloro-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine;4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine;[2-chloro-3-(hydroxymethyl)-4-pyridinyl]methanol;4-chloro-2-methyl-1,3-dihydropyrrolo[3,4-c]pyridine;dimethyl 2-chloropyridine-3,4-dicarboxylate;dimethyl 1-hydroxypyridin-1-ium-3,4-dicarboxylate;dimethyl pyridine-3,4-dicarboxylate;pyridine-3,4-dicarboxylic acid
CID 159279930
2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;[(3R)-3-(hydroxymethyl)morpholin-4-yl]-[2-(2-methoxyethyl)-3-pyridinyl]methanone;2-(2-methoxyethyl)pyridine-3-carboxylic acid;methyl 2-chloropyridine-3-carboxylate;methyl 2-ethenylpyridine-3-carboxylate;methyl 2-(2-methoxyethyl)pyridine-3-carboxylate;[(3R)-morpholin-3-yl]methanol;prop-1-ene;trihydrochloride
CID 159410533
bis(carbon dioxide);6-chloro-5-methyl-4-(methylamino)pyridine-3-carbaldehyde;[6-chloro-5-methyl-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-5-methyl-4-(methylamino)pyridine-3-carboxylate;bis(ethyl 4,6-dichloro-5-methylpyridine-3-carboxylate);ethyl 4-hydroxy-5-methyl-6-oxo-1H-pyridine-3-carboxylate;ethyl 2-methyl-3-oxohexanoate;ethyl 3-oxohexanoate;methane;methyl 2-(3,5-dimethoxyphenyl)acetate;phosphoryl trichloride
CID 159513958
Dicesium;6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carbaldehyde;[6-chloro-4-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]methanol;ethyl 6-chloro-4-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;hydride;methyl 2-phenylacetate;1-methylpiperidin-4-amine;oxido formate
CID 161262969

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate?
The IUPAC name of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate (CID 159373533) is 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate.
What is the SMILES notation for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate?
The canonical SMILES for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate is CCOC(=O)c1cnc(Cl)cc1Cl.CCOC(=O)c1cnc(Cl)cc1N.CCOC(=O)c1cnc(Cl)cc1NCc1ccc(OC)cc1OC.COC(=O)CC(C)C.COc1ccc(CN)c(OC)c1.Nc1cc(Cl)ncc1C=O.Nc1cc(Cl)ncc1CO.O=[Mn]=O.
What is the InChIKey of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate?
The InChIKey is NXCARRRUDZKRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4.C9H13NO2.C8H7Cl2NO2.C8H9ClN2O2.C6H7ClN2O.C6H5ClN2O.C6H12O2.Mn.2O/c1-4-24-17(21)13-10-20-16(18)8-14(13)19-9-11-5-6-12(22-2)7-15(11)23-3;1-11-8-4-3-7(6-10)9(5-8)12-2;1-2-13-8(12)5-4-11-7(10)3-6(5)9;1-2-13-8(12)5-4-11-7(9)3-6(5)10;2*7-6-1-5(8)4(3-10)2-9-6;1-5(2)4-6(7)8-3;;;/h5-8,10H,4,9H2,1-3H3,(H,19,20);3-5H,6,10H2,1-2H3;3-4H,2H2,1H3;3-4H,2H2,1H3,(H2,10,11);1-2,10H,3H2,(H2,8,9);1-3H,(H2,8,9);5H,4H2,1-3H3;;;.
What are the key properties of 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate?
4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate has a molecular weight of 1456.95 g/mol, XLogP of 11.67, 18 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;(2,4-dimethoxyphenyl)methanamine;dioxomanganese;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;methyl 3-methylbutanoate is sourced from PubChem (CID 159373533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).