3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol

C165H235F15N20O23S — CID 159371889

IUPAC3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1cnc(N)c(OC(F)F)c1.CC(C)c1cncc(OC(F)F)c1.CC(C)c1cncc(OCC(F)F)c1.CC(C)c1cncc(OCCF)c1.CCNC(=O)c1cc(C(C)C)cnc1C.CCNC(=O)c1cc(C(C)C)cnc1OC.CCOc1cc(C(C)C)cnc1OC.CCOc1cncc(C(C)C)c1.CCc1ncc(C(C)C)cc1OC.COc1cc(C(C)C)cnc1F.COc1ncc(C(C)C)cc1CO.COc1ncc(C(C)C)cc1F.COc1ncc(C(C)C)cc1OC(F)F.COc1ncc(C(C)C)cc1OCC(F)F.COc1ncc(C(C)C)cc1S(=O)(=O)N(C)C.Cc1ncc(C(C)C)cc1OCC(F)F
InChIInChI=1S/C12H18N2O2.C12H18N2O.C11H15F2NO2.C11H15F2NO.C11H18N2O3S.C11H17NO2.C11H17NO.C10H13F2NO2.C10H13F2NO.C10H14FNO.C10H15NO2.C10H15NO.C9H12F2N2O.C9H11F2NO.2C9H12FNO/c1-5-13-11(15)10-6-9(8(2)3)7-14-12(10)16-4;1-5-13-12(15)11-6-10(8(2)3)7-14-9(11)4;1-7(2)8-4-9(16-6-10(12)13)11(15-3)14-5-8;1-7(2)9-4-10(8(3)14-5-9)15-6-11(12)13;1-8(2)9-6-10(11(16-5)12-7-9)17(14,15)13(3)4;1-5-14-10-6-9(8(2)3)7-12-11(10)13-4;1-5-10-11(13-4)6-9(7-12-10)8(2)3;1-6(2)7-4-8(15-10(11)12)9(14-3)13-5-7;1-7(2)8-3-9(5-13-4-8)14-6-10(11)12;1-8(2)9-5-10(7-12-6-9)13-4-3-11;1-7(2)8-4-9(6-12)10(13-3)11-5-8;1-4-12-10-5-9(8(2)3)6-11-7-10;1-5(2)6-3-7(14-9(10)11)8(12)13-4-6;1-6(2)7-3-8(5-12-4-7)13-9(10)11;1-6(2)7-4-8(12-3)9(10)11-5-7;1-6(2)7-4-8(10)9(12-3)11-5-7/h6-8H,5H2,1-4H3,(H,13,15);6-8H,5H2,1-4H3,(H,13,15);4-5,7,10H,6H2,1-3H3;4-5,7,11H,6H2,1-3H3;6-8H,1-5H3;6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;4-6,10H,1-3H3;3-5,7,10H,6H2,1-2H3;5-8H,3-4H2,1-2H3;4-5,7,12H,6H2,1-3H3;5-8H,4H2,1-3H3;3-5,9H,1-2H3,(H2,12,13);3-6,9H,1-2H3;2*4-6H,1-3H3
InChIKeyLJVSCWGTVLSJST-UHFFFAOYSA-N
MW3183.85 g/mol
LogP39.52
Rot. Bonds55

About 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol

3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol (PubChem CID 159371889) has the molecular formula C165H235F15N20O23S and a molecular weight of 3183.85 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol
PubChem CID159371889
Molecular FormulaC165H235F15N20O23S
Molecular Weight3183.85 g/mol
Exact Mass3181.73
IUPAC Name3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1cnc(N)c(OC(F)F)c1.CC(C)c1cncc(OC(F)F)c1.CC(C)c1cncc(OCC(F)F)c1.CC(C)c1cncc(OCCF)c1.CCNC(=O)c1cc(C(C)C)cnc1C.CCNC(=O)c1cc(C(C)C)cnc1OC.CCOc1cc(C(C)C)cnc1OC.CCOc1cncc(C(C)C)c1.CCc1ncc(C(C)C)cc1OC.COc1cc(C(C)C)cnc1F.COc1ncc(C(C)C)cc1CO.COc1ncc(C(C)C)cc1F.COc1ncc(C(C)C)cc1OC(F)F.COc1ncc(C(C)C)cc1OCC(F)F.COc1ncc(C(C)C)cc1S(=O)(=O)N(C)C.Cc1ncc(C(C)C)cc1OCC(F)F
InChIInChI=1S/C12H18N2O2.C12H18N2O.C11H15F2NO2.C11H15F2NO.C11H18N2O3S.C11H17NO2.C11H17NO.C10H13F2NO2.C10H13F2NO.C10H14FNO.C10H15NO2.C10H15NO.C9H12F2N2O.C9H11F2NO.2C9H12FNO/c1-5-13-11(15)10-6-9(8(2)3)7-14-12(10)16-4;1-5-13-12(15)11-6-10(8(2)3)7-14-9(11)4;1-7(2)8-4-9(16-6-10(12)13)11(15-3)14-5-8;1-7(2)9-4-10(8(3)14-5-9)15-6-11(12)13;1-8(2)9-6-10(11(16-5)12-7-9)17(14,15)13(3)4;1-5-14-10-6-9(8(2)3)7-12-11(10)13-4;1-5-10-11(13-4)6-9(7-12-10)8(2)3;1-6(2)7-4-8(15-10(11)12)9(14-3)13-5-7;1-7(2)8-3-9(5-13-4-8)14-6-10(11)12;1-8(2)9-5-10(7-12-6-9)13-4-3-11;1-7(2)8-4-9(6-12)10(13-3)11-5-8;1-4-12-10-5-9(8(2)3)6-11-7-10;1-5(2)6-3-7(14-9(10)11)8(12)13-4-6;1-6(2)7-3-8(5-12-4-7)13-9(10)11;1-6(2)7-4-8(12-3)9(10)11-5-7;1-6(2)7-4-8(10)9(12-3)11-5-7/h6-8H,5H2,1-4H3,(H,13,15);6-8H,5H2,1-4H3,(H,13,15);4-5,7,10H,6H2,1-3H3;4-5,7,11H,6H2,1-3H3;6-8H,1-5H3;6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;4-6,10H,1-3H3;3-5,7,10H,6H2,1-2H3;5-8H,3-4H2,1-2H3;4-5,7,12H,6H2,1-3H3;5-8H,4H2,1-3H3;3-5,9H,1-2H3,(H2,12,13);3-6,9H,1-2H3;2*4-6H,1-3H3
InChIKeyLJVSCWGTVLSJST-UHFFFAOYSA-N
XLogP39.52
TPSA514.21 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds55
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003183.85
LogP ≤ 539.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol with MolForge

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Launch Full Analysis

Related Compounds

N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine
CID 158532471
3,5-difluoro-2-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyridine-3-carboxamide;N,N-dimethyl-6-propan-2-ylpyridine-3-sulfonamide;[4-(2-hydroxyethyl)piperazin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone;5-methoxy-2-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;bis(morpholin-4-yl-(6-propan-2-yl-3-pyridinyl)methanone);6-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;(6-propan-2-yl-3-pyridinyl)methanol
CID 158701723
N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine
CID 159653318
N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N-[(dimethylamino)methyl]-2-methoxy-N-methyl-5-propan-2-ylpyridine-3-sulfonamide;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine
CID 162192645

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol (CID 159371889) is 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol is CC(C)c1cnc(N)c(OC(F)F)c1.CC(C)c1cncc(OC(F)F)c1.CC(C)c1cncc(OCC(F)F)c1.CC(C)c1cncc(OCCF)c1.CCNC(=O)c1cc(C(C)C)cnc1C.CCNC(=O)c1cc(C(C)C)cnc1OC.CCOc1cc(C(C)C)cnc1OC.CCOc1cncc(C(C)C)c1.CCc1ncc(C(C)C)cc1OC.COc1cc(C(C)C)cnc1F.COc1ncc(C(C)C)cc1CO.COc1ncc(C(C)C)cc1F.COc1ncc(C(C)C)cc1OC(F)F.COc1ncc(C(C)C)cc1OCC(F)F.COc1ncc(C(C)C)cc1S(=O)(=O)N(C)C.Cc1ncc(C(C)C)cc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol?
The InChIKey is LJVSCWGTVLSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C12H18N2O.C11H15F2NO2.C11H15F2NO.C11H18N2O3S.C11H17NO2.C11H17NO.C10H13F2NO2.C10H13F2NO.C10H14FNO.C10H15NO2.C10H15NO.C9H12F2N2O.C9H11F2NO.2C9H12FNO/c1-5-13-11(15)10-6-9(8(2)3)7-14-12(10)16-4;1-5-13-12(15)11-6-10(8(2)3)7-14-9(11)4;1-7(2)8-4-9(16-6-10(12)13)11(15-3)14-5-8;1-7(2)9-4-10(8(3)14-5-9)15-6-11(12)13;1-8(2)9-6-10(11(16-5)12-7-9)17(14,15)13(3)4;1-5-14-10-6-9(8(2)3)7-12-11(10)13-4;1-5-10-11(13-4)6-9(7-12-10)8(2)3;1-6(2)7-4-8(15-10(11)12)9(14-3)13-5-7;1-7(2)8-3-9(5-13-4-8)14-6-10(11)12;1-8(2)9-5-10(7-12-6-9)13-4-3-11;1-7(2)8-4-9(6-12)10(13-3)11-5-8;1-4-12-10-5-9(8(2)3)6-11-7-10;1-5(2)6-3-7(14-9(10)11)8(12)13-4-6;1-6(2)7-3-8(5-12-4-7)13-9(10)11;1-6(2)7-4-8(12-3)9(10)11-5-7;1-6(2)7-4-8(10)9(12-3)11-5-7/h6-8H,5H2,1-4H3,(H,13,15);6-8H,5H2,1-4H3,(H,13,15);4-5,7,10H,6H2,1-3H3;4-5,7,11H,6H2,1-3H3;6-8H,1-5H3;6-8H,5H2,1-4H3;6-8H,5H2,1-4H3;4-6,10H,1-3H3;3-5,7,10H,6H2,1-2H3;5-8H,3-4H2,1-2H3;4-5,7,12H,6H2,1-3H3;5-8H,4H2,1-3H3;3-5,9H,1-2H3,(H2,12,13);3-6,9H,1-2H3;2*4-6H,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol?
3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol has a molecular weight of 3183.85 g/mol, XLogP of 39.52, 55 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-2-methyl-5-propan-2-ylpyridine;3-(2,2-difluoroethoxy)-5-propan-2-ylpyridine;3-(difluoromethoxy)-2-methoxy-5-propan-2-ylpyridine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridine;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;3-ethoxy-5-propan-2-ylpyridine;2-ethyl-3-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-fluoro-3-methoxy-5-propan-2-ylpyridine;3-fluoro-2-methoxy-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;(2-methoxy-5-propan-2-yl-3-pyridinyl)methanol is sourced from PubChem (CID 159371889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).