2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride

C81H120BClF6I3N15O11S — CID 158047020

About 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride

2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride (PubChem CID 158047020) has the molecular formula C81H120BClF6I3N15O11S and a molecular weight of 2052.98 g/mol. Its IUPAC name is 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride.

Molecular Properties

• Compound Name: 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride
• PubChem CID: 158047020
• Molecular Formula: C81H120BClF6I3N15O11S
• Molecular Weight: 2052.98 g/mol
• Exact Mass: 2051.58
• IUPAC Name: 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride
• SMILES: C.C.C.C1COCCN1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC4COC4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Fc1cc(I)cc(F)n1.Fc1cc(I)cc(NC2COC2)n1.Ic1cc(NC2COC2)nc(N2CCOCC2)c1.NC1COC1.S
• InChI: InChI=1S/C26H35N5O3.C20H28BF3N2O3.C12H16IN3O2.C8H8FIN2O.C5H2F2IN.C4H9NO.C3H7NO.3CH4.ClH.H2S/c1-3-19-6-7-31(15-19)26(32)28-21-5-4-18(2)23(14-21)20-12-24(27-22-16-34-17-22)29-25(13-20)30-8-10-33-11-9-30;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-9-5-11(14-10-7-18-8-10)15-12(6-9)16-1-3-17-4-2-16;9-7-1-5(10)2-8(12-7)11-6-3-13-4-6;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;4-3-1-5-2-3;;;;;/h4-5,12-14,19,22H,3,6-11,15-17H2,1-2H3,(H,27,29)(H,28,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6,10H,1-4,7-8H2,(H,14,15);1-2,6H,3-4H2,(H,11,12);1-2H;5H,1-4H2;3H,1-2,4H2;3*1H4;1H;1H2/t19-;14-;;;;;;;;;;/m10........../s1
• InChIKey: HBZFHLOUHJQCGM-DSRWOBTISA-N
• XLogP: 14.40
• TPSA: 279.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.98
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride?

The IUPAC name of 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride (CID 158047020) is 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride.

What is the SMILES notation for 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride?

The canonical SMILES for 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride is C.C.C.C1COCCN1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(NC4COC4)nc(N4CCOCC4)c3)c2)C1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Cl.Fc1cc(I)cc(F)n1.Fc1cc(I)cc(NC2COC2)n1.Ic1cc(NC2COC2)nc(N2CCOCC2)c1.NC1COC1.S.

What is the InChIKey of 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride?

The InChIKey is HBZFHLOUHJQCGM-DSRWOBTISA-N. The full InChI is InChI=1S/C26H35N5O3.C20H28BF3N2O3.C12H16IN3O2.C8H8FIN2O.C5H2F2IN.C4H9NO.C3H7NO.3CH4.ClH.H2S/c1-3-19-6-7-31(15-19)26(32)28-21-5-4-18(2)23(14-21)20-12-24(27-22-16-34-17-22)29-25(13-20)30-8-10-33-11-9-30;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;13-9-5-11(14-10-7-18-8-10)15-12(6-9)16-1-3-17-4-2-16;9-7-1-5(10)2-8(12-7)11-6-3-13-4-6;6-4-1-3(8)2-5(7)9-4;1-3-6-4-2-5-1;4-3-1-5-2-3;;;;;/h4-5,12-14,19,22H,3,6-11,15-17H2,1-2H3,(H,27,29)(H,28,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6,10H,1-4,7-8H2,(H,14,15);1-2,6H,3-4H2,(H,11,12);1-2H;5H,1-4H2;3H,1-2,4H2;3*1H4;1H;1H2/t19-;14-;;;;;;;;;;/m10........../s1.

What are the key properties of 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride?

2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride has a molecular weight of 2052.98 g/mol, XLogP of 14.40, 14 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-4-iodopyridine;(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxetan-3-ylamino)-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;4-iodo-6-morpholin-4-yl-N-(oxetan-3-yl)pyridin-2-amine;methane;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;morpholine;oxetan-3-amine;sulfane;hydrochloride is sourced from PubChem (CID 158047020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).