6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride

C79H60B2Br2Cl5F15N14O10 — CID 158319554

About 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride

6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride (PubChem CID 158319554) has the molecular formula C79H60B2Br2Cl5F15N14O10 and a molecular weight of 2009.10 g/mol. Its IUPAC name is 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride
• PubChem CID: 158319554
• Molecular Formula: C79H60B2Br2Cl5F15N14O10
• Molecular Weight: 2009.10 g/mol
• Exact Mass: 2004.14
• IUPAC Name: 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride
• SMILES: COC(=O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl.Cl.Fc1cccnc1C1CCNCC1.O=C(O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccccc3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(B(O)O)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.OB(O)c1ccccc1
• InChI: InChI=1S/C25H17ClF4N4O.C19H14BClF4N4O3.C10H5BrClF3N2O2.C10H13FN2.C9H3BrClF3N2O2.C6H7BO2.ClH/c26-22-21(24(35)33-11-8-16(9-12-33)20-19(27)7-4-10-31-20)32-23-18(25(28,29)30)13-17(14-34(22)23)15-5-2-1-3-6-15;21-16-15(27-17-12(19(23,24)25)8-11(20(31)32)9-29(16)17)18(30)28-6-3-10(4-7-28)14-13(22)2-1-5-26-14;1-19-9(18)6-7(12)17-3-4(11)2-5(8(17)16-6)10(13,14)15;11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;10-3-1-4(9(12,13)14)7-15-5(8(17)18)6(11)16(7)2-3;8-7(9)6-4-2-1-3-5-6;/h1-8,10,13-14H,9,11-12H2;1-3,5,8-9,31-32H,4,6-7H2;2-3H,1H3;1-2,5,8,12H,3-4,6-7H2;1-2H,(H,17,18);1-5,8-9H;1H
• InChIKey: IRUMDMMILALNGA-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 305.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2009.10
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride?

The IUPAC name of 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride (CID 158319554) is 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride.

What is the SMILES notation for 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride?

The canonical SMILES for 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride is COC(=O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl.Cl.Fc1cccnc1C1CCNCC1.O=C(O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl.O=C(c1nc2c(C(F)(F)F)cc(-c3ccccc3)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.O=C(c1nc2c(C(F)(F)F)cc(B(O)O)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.OB(O)c1ccccc1.

What is the InChIKey of 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride?

The InChIKey is IRUMDMMILALNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF4N4O.C19H14BClF4N4O3.C10H5BrClF3N2O2.C10H13FN2.C9H3BrClF3N2O2.C6H7BO2.ClH/c26-22-21(24(35)33-11-8-16(9-12-33)20-19(27)7-4-10-31-20)32-23-18(25(28,29)30)13-17(14-34(22)23)15-5-2-1-3-6-15;21-16-15(27-17-12(19(23,24)25)8-11(20(31)32)9-29(16)17)18(30)28-6-3-10(4-7-28)14-13(22)2-1-5-26-14;1-19-9(18)6-7(12)17-3-4(11)2-5(8(17)16-6)10(13,14)15;11-9-2-1-5-13-10(9)8-3-6-12-7-4-8;10-3-1-4(9(12,13)14)7-15-5(8(17)18)6(11)16(7)2-3;8-7(9)6-4-2-1-3-5-6;/h1-8,10,13-14H,9,11-12H2;1-3,5,8-9,31-32H,4,6-7H2;2-3H,1H3;1-2,5,8,12H,3-4,6-7H2;1-2H,(H,17,18);1-5,8-9H;1H.

What are the key properties of 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride?

6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride has a molecular weight of 2009.10 g/mol, XLogP of 16.79, 10 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride is sourced from PubChem (CID 158319554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).