carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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

C85H103BCl4F10N14O13 — CID 167704997

About carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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

carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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 (PubChem CID 167704997) has the molecular formula C85H103BCl4F10N14O13 and a molecular weight of 1871.45 g/mol. Its IUPAC name is carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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.

Molecular Properties

• Compound Name: carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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
• PubChem CID: 167704997
• Molecular Formula: C85H103BCl4F10N14O13
• Molecular Weight: 1871.45 g/mol
• Exact Mass: 1868.65
• IUPAC Name: carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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
• SMILES: Cc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(C(F)F)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.FC(F)c1cc(Cl)cc(N2CCOCC2)n1.O=C=O.O=Cc1cc(Cl)cc(N2CCOCC2)n1.OCc1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C24H27F5N4O2.C20H28BF3N2O3.C10H11ClF2N2O.C10H13ClN2O2.C10H11ClN2O2.C10H13ClN2O.CO2/c1-15-2-3-18(30-23(34)33-5-4-16(14-33)13-24(27,28)29)12-19(15)17-10-20(22(25)26)31-21(11-17)32-6-8-35-9-7-32;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;11-7-5-8(10(12)13)14-9(6-7)15-1-3-16-4-2-15;2*11-8-5-9(7-14)12-10(6-8)13-1-3-15-4-2-13;1-8-6-9(11)7-10(12-8)13-2-4-14-5-3-13;2-1-3/h2-3,10-12,16,22H,4-9,13-14H2,1H3,(H,30,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6,10H,1-4H2;5-6,14H,1-4,7H2;5-7H,1-4H2;6-7H,2-5H2,1H3;/t16-;14-;;;;;/m00...../s1
• InChIKey: YYWPDTKXORRJTK-VMHSPLMUSA-N
• XLogP: 15.99
• TPSA: 281.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.45
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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?

The IUPAC name of carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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 (CID 167704997) is carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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.

What is the SMILES notation for carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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?

The canonical SMILES for carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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 is Cc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(C(F)F)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.FC(F)c1cc(Cl)cc(N2CCOCC2)n1.O=C=O.O=Cc1cc(Cl)cc(N2CCOCC2)n1.OCc1cc(Cl)cc(N2CCOCC2)n1.

What is the InChIKey of carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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?

The InChIKey is YYWPDTKXORRJTK-VMHSPLMUSA-N. The full InChI is InChI=1S/C24H27F5N4O2.C20H28BF3N2O3.C10H11ClF2N2O.C10H13ClN2O2.C10H11ClN2O2.C10H13ClN2O.CO2/c1-15-2-3-18(30-23(34)33-5-4-16(14-33)13-24(27,28)29)12-19(15)17-10-20(22(25)26)31-21(11-17)32-6-8-35-9-7-32;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;11-7-5-8(10(12)13)14-9(6-7)15-1-3-16-4-2-15;2*11-8-5-9(7-14)12-10(6-8)13-1-3-15-4-2-13;1-8-6-9(11)7-10(12-8)13-2-4-14-5-3-13;2-1-3/h2-3,10-12,16,22H,4-9,13-14H2,1H3,(H,30,34);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);5-6,10H,1-4H2;5-6,14H,1-4,7H2;5-7H,1-4H2;6-7H,2-5H2,1H3;/t16-;14-;;;;;/m00...../s1.

What are the key properties of carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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?

carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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 has a molecular weight of 1871.45 g/mol, XLogP of 15.99, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;4-[4-chloro-6-(difluoromethyl)-2-pyridinyl]morpholine;4-(4-chloro-6-methyl-2-pyridinyl)morpholine;4-chloro-6-morpholin-4-ylpyridine-2-carbaldehyde;(4-chloro-6-morpholin-4-yl-2-pyridinyl)methanol;(3S)-N-[3-[2-(difluoromethyl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(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 is sourced from PubChem (CID 167704997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).