2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine

C74H78ClF6N17O4S4 — CID 159199233

About 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine

2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine (PubChem CID 159199233) has the molecular formula C74H78ClF6N17O4S4 and a molecular weight of 1547.26 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine.

Molecular Properties

• Compound Name: 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine
• PubChem CID: 159199233
• Molecular Formula: C74H78ClF6N17O4S4
• Molecular Weight: 1547.26 g/mol
• Exact Mass: 1545.49
• IUPAC Name: 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine
• SMILES: CCOC(=O)CCCCCCCN(c1cc(-c2ccc(F)cc2)ccn1)c1nc(C)ns1.Cc1nsc(N(CCCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1.Cc1nsc(N)n1.Cc1nsc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.FF.Fc1ccc(-c2ccnc(Cl)c2)cc1
• InChI: InChI=1S/C24H29FN4O2S.C22H26FN5O2S.C14H11FN4S.C11H7ClFN.C3H5N3S.F2/c1-3-31-23(30)9-7-5-4-6-8-16-29(24-27-18(2)28-32-24)22-17-20(14-15-26-22)19-10-12-21(25)13-11-19;1-16-25-22(31-27-16)28(14-6-4-2-3-5-7-21(29)26-30)20-15-18(12-13-24-20)17-8-10-19(23)11-9-17;1-9-17-14(20-19-9)18-13-8-11(6-7-16-13)10-2-4-12(15)5-3-10;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-2-5-3(4)7-6-2;1-2/h10-15,17H,3-9,16H2,1-2H3;8-13,15,30H,2-7,14H2,1H3,(H,26,29);2-8H,1H3,(H,16,17,18,19);1-7H;1H3,(H2,4,5,6)
• InChIKey: KPBGZZSKZHDLEU-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 274.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1547.26
LogP ≤ 5	19.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine?

The IUPAC name of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine (CID 159199233) is 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine.

What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine?

The canonical SMILES for 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine is CCOC(=O)CCCCCCCN(c1cc(-c2ccc(F)cc2)ccn1)c1nc(C)ns1.Cc1nsc(N(CCCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1.Cc1nsc(N)n1.Cc1nsc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.FF.Fc1ccc(-c2ccnc(Cl)c2)cc1.

What is the InChIKey of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine?

The InChIKey is KPBGZZSKZHDLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2S.C22H26FN5O2S.C14H11FN4S.C11H7ClFN.C3H5N3S.F2/c1-3-31-23(30)9-7-5-4-6-8-16-29(24-27-18(2)28-32-24)22-17-20(14-15-26-22)19-10-12-21(25)13-11-19;1-16-25-22(31-27-16)28(14-6-4-2-3-5-7-21(29)26-30)20-15-18(12-13-24-20)17-8-10-19(23)11-9-17;1-9-17-14(20-19-9)18-13-8-11(6-7-16-13)10-2-4-12(15)5-3-10;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-2-5-3(4)7-6-2;1-2/h10-15,17H,3-9,16H2,1-2H3;8-13,15,30H,2-7,14H2,1H3,(H,26,29);2-8H,1H3,(H,16,17,18,19);1-7H;1H3,(H2,4,5,6);.

What are the key properties of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine?

2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine has a molecular weight of 1547.26 g/mol, XLogP of 19.72, 27 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]octanoate;N-[4-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2,4-thiadiazol-5-amine;8-[[4-(4-fluorophenyl)-2-pyridinyl]-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-hydroxyoctanamide;3-methyl-1,2,4-thiadiazol-5-amine;molecular fluorine is sourced from PubChem (CID 159199233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).