2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride

C₈₁H₉₀BrCl₄F₁₁N₁₄O₉ — CID 160539538

About 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride

2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride (PubChem CID 160539538) has the molecular formula C₈₁H₉₀BrCl₄F₁₁N₁₄O₉ and a molecular weight of 1834.39 g/mol. Its IUPAC name is 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride.

Molecular Properties

• Compound Name: 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride
• PubChem CID: 160539538
• Molecular Formula: C₈₁H₉₀BrCl₄F₁₁N₁₄O₉
• Molecular Weight: 1834.39 g/mol
• Exact Mass: 1830.48
• IUPAC Name: 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride
• SMILES: C.C.C.CN1CCC(=O)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Cl.Fc1cccnc1Br.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.OC1(c2ncccc2F)CCNCC1
• InChI: InChI=1S/2C23H17ClF4N4O3.C11H15FN2O.C10H13FN2O.C6H11NO.C5H3BrFN.3CH4.2ClH/c2*24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;1-7-4-2-6(8)3-5-7;6-5-4(7)2-1-3-8-5;;;;;/h2*1-3,6,9-12,34H,4-5,7-8H2;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,12,14H,3-4,6-7H2;2-5H2,1H3;1-3H;3*1H4;2*1H
• InChIKey: XQYWPJPUPGDVPT-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 282.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1834.39
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?

The IUPAC name of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride (CID 160539538) is 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride.

What is the SMILES notation for 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?

The canonical SMILES for 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride is C.C.C.CN1CCC(=O)CC1.CN1CCC(O)(c2ncccc2F)CC1.Cl.Cl.Fc1cccnc1Br.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.OC1(c2ncccc2F)CCNCC1.

What is the InChIKey of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?

The InChIKey is XQYWPJPUPGDVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17ClF4N4O3.C11H15FN2O.C10H13FN2O.C6H11NO.C5H3BrFN.3CH4.2ClH/c2*24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13;1-14-7-4-11(15,5-8-14)10-9(12)3-2-6-13-10;11-8-2-1-5-13-9(8)10(14)3-6-12-7-4-10;1-7-4-2-6(8)3-5-7;6-5-4(7)2-1-3-8-5;;;;;/h2*1-3,6,9-12,34H,4-5,7-8H2;2-3,6,15H,4-5,7-8H2,1H3;1-2,5,12,14H,3-4,6-7H2;2-5H2,1H3;1-3H;3*1H4;2*1H.

What are the key properties of 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride?

2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride has a molecular weight of 1834.39 g/mol, XLogP of 16.79, 8 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-fluoropyridine;bis([3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone);4-(3-fluoro-2-pyridinyl)-1-methylpiperidin-4-ol;4-(3-fluoro-2-pyridinyl)piperidin-4-ol;methane;1-methylpiperidin-4-one;dihydrochloride is sourced from PubChem (CID 160539538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160539538 — identifiers, structure, computed properties (public domain)

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