2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate

C76H60ClF8N21O5 — CID 159477805

About 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate

2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate (PubChem CID 159477805) has the molecular formula C76H60ClF8N21O5 and a molecular weight of 1534.89 g/mol. Its IUPAC name is 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate
• PubChem CID: 159477805
• Molecular Formula: C76H60ClF8N21O5
• Molecular Weight: 1534.89 g/mol
• Exact Mass: 1533.46
• IUPAC Name: 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate
• SMILES: CCOC(=O)c1cc(Nc2ccc(F)cc2F)nc(-n2ccc(C)n2)c1.Cc1ccn(-c2cc(C#N)cc(Cl)n2)n1.Cc1ccn(-c2cc(C#N)cc(Nc3ccc(F)cc3F)n2)n1.Cc1ccn(-c2cc(C(=O)O)cc(Nc3ccc(F)cc3F)n2)n1.Cc1ccn(-c2cc(CO)cc(Nc3ccc(F)cc3F)n2)n1
• InChI: InChI=1S/C18H16F2N4O2.C16H11F2N5.C16H12F2N4O2.C16H14F2N4O.C10H7ClN4/c1-3-26-18(25)12-8-16(21-15-5-4-13(19)10-14(15)20)22-17(9-12)24-7-6-11(2)23-24;1-10-4-5-23(22-10)16-7-11(9-19)6-15(21-16)20-14-3-2-12(17)8-13(14)18;1-9-4-5-22(21-9)15-7-10(16(23)24)6-14(20-15)19-13-3-2-11(17)8-12(13)18;1-10-4-5-22(21-10)16-7-11(9-23)6-15(20-16)19-14-3-2-12(17)8-13(14)18;1-7-2-3-15(14-7)10-5-8(6-12)4-9(11)13-10/h4-10H,3H2,1-2H3,(H,21,22);2-8H,1H3,(H,20,21);2-8H,1H3,(H,19,20)(H,23,24);2-8,23H,9H2,1H3,(H,19,20);2-5H,1H3
• InChIKey: LWPNEORRJLXYEB-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 333.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1534.89
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate?

The IUPAC name of 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate (CID 159477805) is 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate.

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

The canonical SMILES for 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate is CCOC(=O)c1cc(Nc2ccc(F)cc2F)nc(-n2ccc(C)n2)c1.Cc1ccn(-c2cc(C#N)cc(Cl)n2)n1.Cc1ccn(-c2cc(C#N)cc(Nc3ccc(F)cc3F)n2)n1.Cc1ccn(-c2cc(C(=O)O)cc(Nc3ccc(F)cc3F)n2)n1.Cc1ccn(-c2cc(CO)cc(Nc3ccc(F)cc3F)n2)n1.

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

The InChIKey is LWPNEORRJLXYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2.C16H11F2N5.C16H12F2N4O2.C16H14F2N4O.C10H7ClN4/c1-3-26-18(25)12-8-16(21-15-5-4-13(19)10-14(15)20)22-17(9-12)24-7-6-11(2)23-24;1-10-4-5-23(22-10)16-7-11(9-19)6-15(21-16)20-14-3-2-12(17)8-13(14)18;1-9-4-5-22(21-9)15-7-10(16(23)24)6-14(20-15)19-13-3-2-11(17)8-12(13)18;1-10-4-5-22(21-10)16-7-11(9-23)6-15(20-16)19-14-3-2-12(17)8-13(14)18;1-7-2-3-15(14-7)10-5-8(6-12)4-9(11)13-10/h4-10H,3H2,1-2H3,(H,21,22);2-8H,1H3,(H,20,21);2-8H,1H3,(H,19,20)(H,23,24);2-8,23H,9H2,1H3,(H,19,20);2-5H,1H3.

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

2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate has a molecular weight of 1534.89 g/mol, XLogP of 15.73, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carbonitrile;2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylic acid;[2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)-4-pyridinyl]methanol;ethyl 2-(2,4-difluoroanilino)-6-(3-methylpyrazol-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 159477805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).