2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate

C75H59Cl5F5N19O7 — CID 161053585

About 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate

2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate (PubChem CID 161053585) has the molecular formula C75H59Cl5F5N19O7 and a molecular weight of 1610.68 g/mol. Its IUPAC name is 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate.

Molecular Properties

• Compound Name: 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate
• PubChem CID: 161053585
• Molecular Formula: C75H59Cl5F5N19O7
• Molecular Weight: 1610.68 g/mol
• Exact Mass: 1607.32
• IUPAC Name: 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate
• SMILES: COC(=O)C(C(=O)c1cccnc1Cl)c1ccccc1F.COC(=O)Cc1ccccc1F.Fc1ccccc1Cc1[nH]nc2ncccc12.Nc1nc(N)nc(-n2nc(Cc3ccccc3F)c3cccnc32)n1.Nc1nc(N)nc(Cl)n1.O=C(Cc1ccccc1F)c1cccnc1Cl.O=C(Cl)c1cccnc1Cl
• InChI: InChI=1S/C16H13FN8.C15H11ClFNO3.C13H9ClFNO.C13H10FN3.C9H9FO2.C6H3Cl2NO.C3H4ClN5/c17-11-6-2-1-4-9(11)8-12-10-5-3-7-20-13(10)25(24-12)16-22-14(18)21-15(19)23-16;1-21-15(20)12(9-5-2-3-7-11(9)17)13(19)10-6-4-8-18-14(10)16;14-13-10(5-3-7-16-13)12(17)8-9-4-1-2-6-11(9)15;14-11-6-2-1-4-9(11)8-12-10-5-3-7-15-13(10)17-16-12;1-12-9(11)6-7-4-2-3-5-8(7)10;7-5-4(6(8)10)2-1-3-9-5;4-1-7-2(5)9-3(6)8-1/h1-7H,8H2,(H4,18,19,21,22,23);2-8,12H,1H3;1-7H,8H2;1-7H,8H2,(H,15,16,17);2-5H,6H2,1H3;1-3H;(H4,5,6,7,8,9)
• InChIKey: UCLLGCUHXAHACG-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 396.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1610.68
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate?

The IUPAC name of 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate (CID 161053585) is 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate.

What is the SMILES notation for 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate?

The canonical SMILES for 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate is COC(=O)C(C(=O)c1cccnc1Cl)c1ccccc1F.COC(=O)Cc1ccccc1F.Fc1ccccc1Cc1[nH]nc2ncccc12.Nc1nc(N)nc(-n2nc(Cc3ccccc3F)c3cccnc32)n1.Nc1nc(N)nc(Cl)n1.O=C(Cc1ccccc1F)c1cccnc1Cl.O=C(Cl)c1cccnc1Cl.

What is the InChIKey of 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate?

The InChIKey is UCLLGCUHXAHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN8.C15H11ClFNO3.C13H9ClFNO.C13H10FN3.C9H9FO2.C6H3Cl2NO.C3H4ClN5/c17-11-6-2-1-4-9(11)8-12-10-5-3-7-20-13(10)25(24-12)16-22-14(18)21-15(19)23-16;1-21-15(20)12(9-5-2-3-7-11(9)17)13(19)10-6-4-8-18-14(10)16;14-13-10(5-3-7-16-13)12(17)8-9-4-1-2-6-11(9)15;14-11-6-2-1-4-9(11)8-12-10-5-3-7-15-13(10)17-16-12;1-12-9(11)6-7-4-2-3-5-8(7)10;7-5-4(6(8)10)2-1-3-9-5;4-1-7-2(5)9-3(6)8-1/h1-7H,8H2,(H4,18,19,21,22,23);2-8,12H,1H3;1-7H,8H2;1-7H,8H2,(H,15,16,17);2-5H,6H2,1H3;1-3H;(H4,5,6,7,8,9).

What are the key properties of 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate?

2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate has a molecular weight of 1610.68 g/mol, XLogP of 13.85, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 161053585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).