6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline

C113H65Cl6F6N17S — CID 158819214

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline
SMILESFc1ccc(-c2ncccc2-c2ccc3ncccc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncccc3n2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccn3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccnc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1Cl.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C20H12ClFN2.C19H10ClFN4.2C19H11ClFN3.C18H11ClFN3.C18H10ClFN2S/c21-17-12-15(5-7-18(17)22)20-16(4-2-10-24-20)13-6-8-19-14(11-13)3-1-9-23-19;1-22-18-10-24-17-7-5-13(11-25(17)18)14-3-2-8-23-19(14)12-4-6-16(21)15(20)9-12;20-14-11-12(5-6-15(14)21)19-13(3-1-10-23-19)16-7-8-17-18(24-16)4-2-9-22-17;20-15-10-13(3-5-16(15)21)19-14(2-1-7-24-19)12-4-6-17-18(11-12)23-9-8-22-17;19-15-10-12(3-5-16(15)20)18-14(2-1-7-22-18)13-4-6-17-21-8-9-23(17)11-13;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16/h1-12H;2-11H;2*1-11H;1-11H;1-10H
InChIKeyIVQPXUWSVLWBAF-UHFFFAOYSA-N
MW2019.65 g/mol
LogP32.14
Rot. Bonds12

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline (PubChem CID 158819214) has the molecular formula C113H65Cl6F6N17S and a molecular weight of 2019.65 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline
PubChem CID158819214
Molecular FormulaC113H65Cl6F6N17S
Molecular Weight2019.65 g/mol
Exact Mass2015.34
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline
SMILESFc1ccc(-c2ncccc2-c2ccc3ncccc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncccc3n2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccn3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccnc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1Cl.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C20H12ClFN2.C19H10ClFN4.2C19H11ClFN3.C18H11ClFN3.C18H10ClFN2S/c21-17-12-15(5-7-18(17)22)20-16(4-2-10-24-20)13-6-8-19-14(11-13)3-1-9-23-19;1-22-18-10-24-17-7-5-13(11-25(17)18)14-3-2-8-23-19(14)12-4-6-16(21)15(20)9-12;20-14-11-12(5-6-15(14)21)19-13(3-1-10-23-19)16-7-8-17-18(24-16)4-2-9-22-17;20-15-10-13(3-5-16(15)21)19-14(2-1-7-24-19)12-4-6-17-18(11-12)23-9-8-22-17;19-15-10-12(3-5-16(15)20)18-14(2-1-7-22-18)13-4-6-17-21-8-9-23(17)11-13;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16/h1-12H;2-11H;2*1-11H;1-11H;1-10H
InChIKeyIVQPXUWSVLWBAF-UHFFFAOYSA-N
XLogP32.14
TPSA193.64 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002019.65
LogP ≤ 532.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline (CID 158819214) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline is Fc1ccc(-c2ncccc2-c2ccc3ncccc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncccc3n2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccn3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3nccnc3c2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncsc3c2)cc1Cl.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline?
The InChIKey is IVQPXUWSVLWBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN2.C19H10ClFN4.2C19H11ClFN3.C18H11ClFN3.C18H10ClFN2S/c21-17-12-15(5-7-18(17)22)20-16(4-2-10-24-20)13-6-8-19-14(11-13)3-1-9-23-19;1-22-18-10-24-17-7-5-13(11-25(17)18)14-3-2-8-23-19(14)12-4-6-16(21)15(20)9-12;20-14-11-12(5-6-15(14)21)19-13(3-1-10-23-19)16-7-8-17-18(24-16)4-2-9-22-17;20-15-10-13(3-5-16(15)21)19-14(2-1-7-24-19)12-4-6-17-18(11-12)23-9-8-22-17;19-15-10-12(3-5-16(15)20)18-14(2-1-7-22-18)13-4-6-17-21-8-9-23(17)11-13;19-14-8-12(3-5-15(14)20)18-13(2-1-7-21-18)11-4-6-16-17(9-11)23-10-22-16/h1-12H;2-11H;2*1-11H;1-11H;1-10H.
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline has a molecular weight of 2019.65 g/mol, XLogP of 32.14, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;2-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1,5-naphthyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinoxaline is sourced from PubChem (CID 158819214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).