2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate

C87H96Cl3F8N23O5 — CID 160505730

About 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate

2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate (PubChem CID 160505730) has the molecular formula C87H96Cl3F8N23O5 and a molecular weight of 1802.22 g/mol. Its IUPAC name is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate
• PubChem CID: 160505730
• Molecular Formula: C87H96Cl3F8N23O5
• Molecular Weight: 1802.22 g/mol
• Exact Mass: 1799.69
• IUPAC Name: 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate
• SMILES: CCOC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1.Cc1cc(C)n(-c2cc(C#N)cc(Cl)n2)n1.Cc1cc(C)n(-c2cc(C#N)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C(=O)O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.N#Cc1cc(Cl)nc(Cl)c1
• InChI: InChI=1S/C19H24F2N4O2.C17H19F2N5.C17H20F2N4O2.C17H22F2N4O.C11H9ClN4.C6H2Cl2N2/c1-4-27-18(26)14-10-16(22-15-5-7-19(20,21)8-6-15)23-17(11-14)25-13(3)9-12(2)24-25;1-11-7-12(2)24(23-11)16-9-13(10-20)8-15(22-16)21-14-3-5-17(18,19)6-4-14;1-10-7-11(2)23(22-10)15-9-12(16(24)25)8-14(21-15)20-13-3-5-17(18,19)6-4-13;1-11-7-12(2)23(22-11)16-9-13(10-24)8-15(21-16)20-14-3-5-17(18,19)6-4-14;1-7-3-8(2)16(15-7)11-5-9(6-13)4-10(12)14-11;7-5-1-4(3-9)2-6(8)10-5/h9-11,15H,4-8H2,1-3H3,(H,22,23);7-9,14H,3-6H2,1-2H3,(H,21,22);7-9,13H,3-6H2,1-2H3,(H,20,21)(H,24,25);7-9,14,24H,3-6,10H2,1-2H3,(H,20,21);3-5H,1-2H3;1-2H
• InChIKey: QSJLFSZEGIFCAF-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 369.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1802.22
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate?

The IUPAC name of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate (CID 160505730) is 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate.

What is the SMILES notation for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate?

The canonical SMILES for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate is CCOC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)c1.Cc1cc(C)n(-c2cc(C#N)cc(Cl)n2)n1.Cc1cc(C)n(-c2cc(C#N)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C(=O)O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.N#Cc1cc(Cl)nc(Cl)c1.

What is the InChIKey of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate?

The InChIKey is QSJLFSZEGIFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2.C17H19F2N5.C17H20F2N4O2.C17H22F2N4O.C11H9ClN4.C6H2Cl2N2/c1-4-27-18(26)14-10-16(22-15-5-7-19(20,21)8-6-15)23-17(11-14)25-13(3)9-12(2)24-25;1-11-7-12(2)24(23-11)16-9-13(10-20)8-15(22-16)21-14-3-5-17(18,19)6-4-14;1-10-7-11(2)23(22-10)15-9-12(16(24)25)8-14(21-15)20-13-3-5-17(18,19)6-4-13;1-11-7-12(2)23(22-11)16-9-13(10-24)8-15(21-16)20-14-3-5-17(18,19)6-4-14;1-7-3-8(2)16(15-7)11-5-9(6-13)4-10(12)14-11;7-5-1-4(3-9)2-6(8)10-5/h9-11,15H,4-8H2,1-3H3,(H,22,23);7-9,14H,3-6H2,1-2H3,(H,21,22);7-9,13H,3-6H2,1-2H3,(H,20,21)(H,24,25);7-9,14,24H,3-6,10H2,1-2H3,(H,20,21);3-5H,1-2H3;1-2H.

What are the key properties of 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate?

2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate has a molecular weight of 1802.22 g/mol, XLogP of 19.40, 17 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 160505730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).