carbon dioxide;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

C55H64Cl3F5N10O9 — CID 165099299

About carbon dioxide;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

carbon dioxide;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 (PubChem CID 165099299) has the molecular formula C55H64Cl3F5N10O9 and a molecular weight of 1210.53 g/mol. Its IUPAC name is carbon dioxide;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.

Molecular Properties

• Compound Name: carbon dioxide;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
• PubChem CID: 165099299
• Molecular Formula: C55H64Cl3F5N10O9
• Molecular Weight: 1210.53 g/mol
• Exact Mass: 1208.38
• IUPAC Name: carbon dioxide;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
• 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.O=C=O.O=Cc1cc(Cl)cc(N2CCOCC2)n1.OCc1cc(Cl)cc(N2CCOCC2)n1
• InChI: InChI=1S/C24H27F5N4O2.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;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);5-6,14H,1-4,7H2;5-7H,1-4H2;6-7H,2-5H2,1H3;/t16-;;;;/m0..../s1
• InChIKey: YBAPJYGXWNSION-FXAGWRDUSA-N
• XLogP: 9.38
• TPSA: 205.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.53
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;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?

The IUPAC name of carbon dioxide;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 (CID 165099299) is carbon dioxide;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.

What is the SMILES notation for carbon dioxide;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?

The canonical SMILES for carbon dioxide;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 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.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-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?

The InChIKey is YBAPJYGXWNSION-FXAGWRDUSA-N. The full InChI is InChI=1S/C24H27F5N4O2.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;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);5-6,14H,1-4,7H2;5-7H,1-4H2;6-7H,2-5H2,1H3;/t16-;;;;/m0..../s1.

What are the key properties of carbon dioxide;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?

carbon dioxide;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 has a molecular weight of 1210.53 g/mol, XLogP of 9.38, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;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 is sourced from PubChem (CID 165099299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).