4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride

C89H100Cl11F9N20O9 — CID 161323566

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride

4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride (PubChem CID 161323566) has the molecular formula C89H100Cl11F9N20O9 and a molecular weight of 2154.87 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride
• PubChem CID: 161323566
• Molecular Formula: C89H100Cl11F9N20O9
• Molecular Weight: 2154.87 g/mol
• Exact Mass: 2148.44
• IUPAC Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride
• SMILES: CCOC(=O)C1=NCC=C1C.CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)n2)cc1C.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CF.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CO.Cc1cn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)nc1CF.Cc1cn(-c2cc(OC3COC3)cc(NC3CCC(F)(F)CC3)n2)nc1CF.Cl.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.OC1COC1
• InChI: InChI=1S/C19H23F3N4O2.C16H18ClF3N4.C12H11Cl2N3O2.C10H8Cl2FN3.C10H9Cl2N3O.C8H11NO2.C6H11F2N.C5H2Cl3N.C3H6O2.ClH/c1-12-9-26(25-16(12)8-20)18-7-14(28-15-10-27-11-15)6-17(24-18)23-13-2-4-19(21,22)5-3-13;1-10-9-24(23-13(10)8-18)15-7-11(17)6-14(22-15)21-12-2-4-16(19,20)5-3-12;1-3-19-12(18)11-7(2)6-17(16-11)10-5-8(13)4-9(14)15-10;1-6-5-16(15-8(6)4-13)10-3-7(11)2-9(12)14-10;1-6-4-15(14-8(6)5-16)10-3-7(11)2-9(12)13-10;1-3-11-8(10)7-6(2)4-5-9-7;7-6(8)3-1-5(9)2-4-6;6-3-1-4(7)9-5(8)2-3;4-3-1-5-2-3;/h6-7,9,13,15H,2-5,8,10-11H2,1H3,(H,23,24);6-7,9,12H,2-5,8H2,1H3,(H,21,22);4-6H,3H2,1-2H3;2-3,5H,4H2,1H3;2-4,16H,5H2,1H3;4H,3,5H2,1-2H3;5H,1-4,9H2;1-2H;3-4H,1-2H2;1H
• InChIKey: SYVPDGSKFVRJLT-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 349.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.87
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride?

The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride (CID 161323566) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride.

What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride?

The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride is CCOC(=O)C1=NCC=C1C.CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)n2)cc1C.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CF.Cc1cn(-c2cc(Cl)cc(Cl)n2)nc1CO.Cc1cn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)nc1CF.Cc1cn(-c2cc(OC3COC3)cc(NC3CCC(F)(F)CC3)n2)nc1CF.Cl.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.OC1COC1.

What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride?

The InChIKey is SYVPDGSKFVRJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2.C16H18ClF3N4.C12H11Cl2N3O2.C10H8Cl2FN3.C10H9Cl2N3O.C8H11NO2.C6H11F2N.C5H2Cl3N.C3H6O2.ClH/c1-12-9-26(25-16(12)8-20)18-7-14(28-15-10-27-11-15)6-17(24-18)23-13-2-4-19(21,22)5-3-13;1-10-9-24(23-13(10)8-18)15-7-11(17)6-14(22-15)21-12-2-4-16(19,20)5-3-12;1-3-19-12(18)11-7(2)6-17(16-11)10-5-8(13)4-9(14)15-10;1-6-5-16(15-8(6)4-13)10-3-7(11)2-9(12)14-10;1-6-4-15(14-8(6)5-16)10-3-7(11)2-9(12)13-10;1-3-11-8(10)7-6(2)4-5-9-7;7-6(8)3-1-5(9)2-4-6;6-3-1-4(7)9-5(8)2-3;4-3-1-5-2-3;/h6-7,9,13,15H,2-5,8,10-11H2,1H3,(H,23,24);6-7,9,12H,2-5,8H2,1H3,(H,21,22);4-6H,3H2,1-2H3;2-3,5H,4H2,1H3;2-4,16H,5H2,1H3;4H,3,5H2,1-2H3;5H,1-4,9H2;1-2H;3-4H,1-2H2;1H.

What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride?

4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride has a molecular weight of 2154.87 g/mol, XLogP of 22.60, 19 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridin-2-amine;2,4-dichloro-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]pyridine;[1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazol-3-yl]methanol;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-4-(oxetan-3-yloxy)pyridin-2-amine;ethyl 1-(4,6-dichloro-2-pyridinyl)-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-2H-pyrrole-5-carboxylate;oxetan-3-ol;2,4,6-trichloropyridine;hydrochloride is sourced from PubChem (CID 161323566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).