(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid

C82H72BBr2F19N8O13 — CID 157394959

About (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid

(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid (PubChem CID 157394959) has the molecular formula C82H72BBr2F19N8O13 and a molecular weight of 1909.10 g/mol. Its IUPAC name is (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid.

Molecular Properties

• Compound Name: (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
• PubChem CID: 157394959
• Molecular Formula: C82H72BBr2F19N8O13
• Molecular Weight: 1909.10 g/mol
• Exact Mass: 1906.34
• IUPAC Name: (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
• SMILES: Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1.NC[C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.OB(O)c1ccc(OCC(F)(F)F)cc1
• InChI: InChI=1S/2C21H18F4N2O.2C14H11BrF4N2O.C8H8BF3O3.C4H6O6/c2*1-13-2-4-14(5-3-13)15-6-9-19(27-11-15)21(24,25)20(28,12-26)17-8-7-16(22)10-18(17)23;2*15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17;10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14;5-1(3(7)8)2(6)4(9)10/h2*2-11,28H,12,26H2,1H3;2*1-6,22H,7,20H2;1-4,13-14H,5H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*20-;2*13-;;1-,2-/m1010.1/s1
• InChIKey: CNMFHRZMYDPMHZ-KOOOHFGXSA-N
• XLogP: 12.85
• TPSA: 401.31 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.10
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid?

The IUPAC name of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid (CID 157394959) is (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid.

What is the SMILES notation for (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid?

The canonical SMILES for (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid is Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(F)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(F)cc3F)nc2)cc1.NC[C@@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.NC[C@](O)(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.OB(O)c1ccc(OCC(F)(F)F)cc1.

What is the InChIKey of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid?

The InChIKey is CNMFHRZMYDPMHZ-KOOOHFGXSA-N. The full InChI is InChI=1S/2C21H18F4N2O.2C14H11BrF4N2O.C8H8BF3O3.C4H6O6/c2*1-13-2-4-14(5-3-13)15-6-9-19(27-11-15)21(24,25)20(28,12-26)17-8-7-16(22)10-18(17)23;2*15-8-1-4-12(21-6-8)14(18,19)13(22,7-20)10-3-2-9(16)5-11(10)17;10-8(11,12)5-15-7-3-1-6(2-4-7)9(13)14;5-1(3(7)8)2(6)4(9)10/h2*2-11,28H,12,26H2,1H3;2*1-6,22H,7,20H2;1-4,13-14H,5H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*20-;2*13-;;1-,2-/m1010.1/s1.

What are the key properties of (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid?

(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid has a molecular weight of 1909.10 g/mol, XLogP of 12.85, 24 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2R,3R)-2,3-dihydroxybutanedioic acid;[4-(2,2,2-trifluoroethoxy)phenyl]boronic acid is sourced from PubChem (CID 157394959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).