4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine

C73H77Cl9F6N18O10 — CID 158302083

About 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine

4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine (PubChem CID 158302083) has the molecular formula C73H77Cl9F6N18O10 and a molecular weight of 1799.60 g/mol. Its IUPAC name is 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine.

Molecular Properties

• Compound Name: 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine
• PubChem CID: 158302083
• Molecular Formula: C73H77Cl9F6N18O10
• Molecular Weight: 1799.60 g/mol
• Exact Mass: 1794.32
• IUPAC Name: 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine
• SMILES: CCOC(=O)c1ccn(-c2cc(Cl)cc(Cl)n2)n1.CCOC(=O)c1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn(-c2cc(Cl)nc(Cl)c2)n1.CCOC(=O)c1ccn(-c2cc(NC3CCC(F)(F)CC3)cc(Cl)n2)n1.CCOC(=O)c1ccn[nH]1.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/2C17H19ClF2N4O2.2C11H9Cl2N3O2.C6H11F2N.C6H8N2O2.C5H2Cl3N/c1-2-26-16(25)13-5-8-24(23-13)15-10-11(18)9-14(22-15)21-12-3-6-17(19,20)7-4-12;1-2-26-16(25)13-5-8-24(23-13)15-10-12(9-14(18)22-15)21-11-3-6-17(19,20)7-4-11;1-2-18-11(17)8-3-4-16(15-8)7-5-9(12)14-10(13)6-7;1-2-18-11(17)8-3-4-16(15-8)10-6-7(12)5-9(13)14-10;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;6-3-1-4(7)9-5(8)2-3/h5,8-10,12H,2-4,6-7H2,1H3,(H,21,22);5,8-11H,2-4,6-7H2,1H3,(H,21,22);2*3-6H,2H2,1H3;5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);1-2H
• InChIKey: GMPPRCLWTNWRPH-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 345.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1799.60
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?

The IUPAC name of 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine (CID 158302083) is 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine.

What is the SMILES notation for 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?

The canonical SMILES for 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine is CCOC(=O)c1ccn(-c2cc(Cl)cc(Cl)n2)n1.CCOC(=O)c1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.CCOC(=O)c1ccn(-c2cc(Cl)nc(Cl)c2)n1.CCOC(=O)c1ccn(-c2cc(NC3CCC(F)(F)CC3)cc(Cl)n2)n1.CCOC(=O)c1ccn[nH]1.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.

What is the InChIKey of 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?

The InChIKey is GMPPRCLWTNWRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19ClF2N4O2.2C11H9Cl2N3O2.C6H11F2N.C6H8N2O2.C5H2Cl3N/c1-2-26-16(25)13-5-8-24(23-13)15-10-11(18)9-14(22-15)21-12-3-6-17(19,20)7-4-12;1-2-26-16(25)13-5-8-24(23-13)15-10-12(9-14(18)22-15)21-11-3-6-17(19,20)7-4-11;1-2-18-11(17)8-3-4-16(15-8)7-5-9(12)14-10(13)6-7;1-2-18-11(17)8-3-4-16(15-8)10-6-7(12)5-9(13)14-10;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;6-3-1-4(7)9-5(8)2-3/h5,8-10,12H,2-4,6-7H2,1H3,(H,21,22);5,8-11H,2-4,6-7H2,1H3,(H,21,22);2*3-6H,2H2,1H3;5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);1-2H.

What are the key properties of 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine?

4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine has a molecular weight of 1799.60 g/mol, XLogP of 18.83, 18 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-[6-chloro-4-[(4,4-difluorocyclohexyl)amino]-2-pyridinyl]pyrazole-3-carboxylate;ethyl 1-(2,6-dichloro-4-pyridinyl)pyrazole-3-carboxylate;ethyl 1-(4,6-dichloro-2-pyridinyl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;2,4,6-trichloropyridine is sourced from PubChem (CID 158302083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).