2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane

C100H121BClI2N7O14 — CID 161315962

About 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane

2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane (PubChem CID 161315962) has the molecular formula C100H121BClI2N7O14 and a molecular weight of 1945.18 g/mol. Its IUPAC name is 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane.

Molecular Properties

• Compound Name: 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane
• PubChem CID: 161315962
• Molecular Formula: C100H121BClI2N7O14
• Molecular Weight: 1945.18 g/mol
• Exact Mass: 1943.68
• IUPAC Name: 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane
• SMILES: C.CC1CC1.C[C@@H](c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.Clc1cc(I)ccn1.O=c1cc(I)cc[nH]1
• InChI: InChI=1S/C30H34N2O4.C28H38BNO5.C27H30N2O4.C5H3ClIN.C5H4INO.C4H8.CH4/c1-21(22-9-11-23(12-10-22)24-15-17-32(26-13-14-26)27(33)19-24)31-18-16-30(36-28(31)34,20-29(2,3)35)25-7-5-4-6-8-25;1-20(21-13-15-23(16-14-21)29-34-26(4,5)27(6,7)35-29)30-18-17-28(33-24(30)31,19-25(2,3)32)22-11-9-8-10-12-22;1-19(20-9-11-21(12-10-20)22-13-15-28-24(30)17-22)29-16-14-27(33-25(29)31,18-26(2,3)32)23-7-5-4-6-8-23;6-5-3-4(7)1-2-8-5;6-4-1-2-7-5(8)3-4;1-4-2-3-4;/h4-12,15,17,19,21,26,35H,13-14,16,18,20H2,1-3H3;8-16,20,32H,17-19H2,1-7H3;4-13,15,17,19,32H,14,16,18H2,1-3H3,(H,28,30);1-3H;1-3H,(H,7,8);4H,2-3H2,1H3;1H4/t21-,30-;20-,28-;19-,27-;;;;/m000..../s1
• InChIKey: VJMPYHBIHLGKJY-SUZAFOOKSA-N
• XLogP: 21.13
• TPSA: 268.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1945.18
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane?

The IUPAC name of 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane (CID 161315962) is 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane.

What is the SMILES notation for 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane?

The canonical SMILES for 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane is C.CC1CC1.C[C@@H](c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(-c2ccn(C3CC3)c(=O)c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.C[C@@H](c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O.Clc1cc(I)ccn1.O=c1cc(I)cc[nH]1.

What is the InChIKey of 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane?

The InChIKey is VJMPYHBIHLGKJY-SUZAFOOKSA-N. The full InChI is InChI=1S/C30H34N2O4.C28H38BNO5.C27H30N2O4.C5H3ClIN.C5H4INO.C4H8.CH4/c1-21(22-9-11-23(12-10-22)24-15-17-32(26-13-14-26)27(33)19-24)31-18-16-30(36-28(31)34,20-29(2,3)35)25-7-5-4-6-8-25;1-20(21-13-15-23(16-14-21)29-34-26(4,5)27(6,7)35-29)30-18-17-28(33-24(30)31,19-25(2,3)32)22-11-9-8-10-12-22;1-19(20-9-11-21(12-10-20)22-13-15-28-24(30)17-22)29-16-14-27(33-25(29)31,18-26(2,3)32)23-7-5-4-6-8-23;6-5-3-4(7)1-2-8-5;6-4-1-2-7-5(8)3-4;1-4-2-3-4;/h4-12,15,17,19,21,26,35H,13-14,16,18,20H2,1-3H3;8-16,20,32H,17-19H2,1-7H3;4-13,15,17,19,32H,14,16,18H2,1-3H3,(H,28,30);1-3H;1-3H,(H,7,8);4H,2-3H2,1H3;1H4/t21-,30-;20-,28-;19-,27-;;;;/m000..../s1.

What are the key properties of 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane?

2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane has a molecular weight of 1945.18 g/mol, XLogP of 21.13, 19 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-iodopyridine;(6S)-3-[(1S)-1-[4-(1-cyclopropyl-2-oxo-4-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(2-oxo-1H-pyridin-4-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one;(6S)-6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one;4-iodo-1H-pyridin-2-one;methane;methylcyclopropane is sourced from PubChem (CID 161315962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).