2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride
C72H86Cl10F6N18O — CID 157301821
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride
SMILESCC1=CC(C)=NC1.Cc1cc(C)n(-c2cc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)nc(Cl)c2)n1.Cc1cc(C)n(-c2cc(NC3CCC(F)(F)CC3)cc(Cl)n2)n1.Cl.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.NC1COC1
InChIInChI=1S/2C16H19ClF2N4.2C10H9Cl2N3.C6H11F2N.C6H9N.C5H2Cl3N.C3H7NO.ClH/c1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-10-7-11(2)23(22-10)15-9-13(8-14(17)21-15)20-12-3-5-16(18,19)6-4-12;1-6-3-7(2)15(14-6)8-4-9(11)13-10(12)5-8;1-6-3-7(2)15(14-6)10-5-8(11)4-9(12)13-10;7-6(8)3-1-5(9)2-4-6;1-5-3-6(2)7-4-5;6-3-1-4(7)9-5(8)2-3;4-3-1-5-2-3;/h7-9,13H,3-6H2,1-2H3,(H,20,21);7-9,12H,3-6H2,1-2H3,(H,20,21);2*3-5H,1-2H3;5H,1-4,9H2;3H,4H2,1-2H3;1-2H;3H,1-2,4H2;1H
InChIKeyOYFMKCGZJZICBR-UHFFFAOYSA-N
MW1688.12 g/mol
LogP21.17
Rot. Bonds8
About 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride
2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride (PubChem CID 157301821) has the molecular formula C72H86Cl10F6N18O and a molecular weight of 1688.12 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride.
Molecular Properties
| Compound Name | 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride |
|---|---|
| PubChem CID | 157301821 |
| Molecular Formula | C72H86Cl10F6N18O |
| Molecular Weight | 1688.12 g/mol |
| Exact Mass | 1682.40 |
| IUPAC Name | 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride |
| SMILES | CC1=CC(C)=NC1.Cc1cc(C)n(-c2cc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)nc(Cl)c2)n1.Cc1cc(C)n(-c2cc(NC3CCC(F)(F)CC3)cc(Cl)n2)n1.Cl.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.NC1COC1 |
| InChI | InChI=1S/2C16H19ClF2N4.2C10H9Cl2N3.C6H11F2N.C6H9N.C5H2Cl3N.C3H7NO.ClH/c1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-10-7-11(2)23(22-10)15-9-13(8-14(17)21-15)20-12-3-5-16(18,19)6-4-12;1-6-3-7(2)15(14-6)8-4-9(11)13-10(12)5-8;1-6-3-7(2)15(14-6)10-5-8(11)4-9(12)13-10;7-6(8)3-1-5(9)2-4-6;1-5-3-6(2)7-4-5;6-3-1-4(7)9-5(8)2-3;4-3-1-5-2-3;/h7-9,13H,3-6H2,1-2H3,(H,20,21);7-9,12H,3-6H2,1-2H3,(H,20,21);2*3-5H,1-2H3;5H,1-4,9H2;3H,4H2,1-2H3;1-2H;3H,1-2,4H2;1H |
| InChIKey | OYFMKCGZJZICBR-UHFFFAOYSA-N |
| XLogP | 21.17 |
| TPSA | 233.42 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 107 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1688.12 |
| LogP ≤ 5 | 21.17 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 19 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride?
The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride (CID 157301821) is 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride.
What is the SMILES notation for 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride?
The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride is CC1=CC(C)=NC1.Cc1cc(C)n(-c2cc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)nc(Cl)c2)n1.Cc1cc(C)n(-c2cc(NC3CCC(F)(F)CC3)cc(Cl)n2)n1.Cl.Clc1cc(Cl)nc(Cl)c1.NC1CCC(F)(F)CC1.NC1COC1.
What is the InChIKey of 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride?
The InChIKey is OYFMKCGZJZICBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19ClF2N4.2C10H9Cl2N3.C6H11F2N.C6H9N.C5H2Cl3N.C3H7NO.ClH/c1-10-7-11(2)23(22-10)15-9-12(17)8-14(21-15)20-13-3-5-16(18,19)6-4-13;1-10-7-11(2)23(22-10)15-9-13(8-14(17)21-15)20-12-3-5-16(18,19)6-4-12;1-6-3-7(2)15(14-6)8-4-9(11)13-10(12)5-8;1-6-3-7(2)15(14-6)10-5-8(11)4-9(12)13-10;7-6(8)3-1-5(9)2-4-6;1-5-3-6(2)7-4-5;6-3-1-4(7)9-5(8)2-3;4-3-1-5-2-3;/h7-9,13H,3-6H2,1-2H3,(H,20,21);7-9,12H,3-6H2,1-2H3,(H,20,21);2*3-5H,1-2H3;5H,1-4,9H2;3H,4H2,1-2H3;1-2H;3H,1-2,4H2;1H.
What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride?
2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride has a molecular weight of 1688.12 g/mol, XLogP of 21.17, 8 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine;4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloro-4-(3,5-dimethylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine;3,5-dimethyl-2H-pyrrole;oxetan-3-amine;2,4,6-trichloropyridine;hydrochloride is sourced from PubChem (CID 157301821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157301821 — identifiers, structure, computed properties (public domain)
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