2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine

C233H319N16O4S4+ — CID 162022297

About 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine

2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine (PubChem CID 162022297) has the molecular formula C233H319N16O4S4+ and a molecular weight of 3536.49 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine
• PubChem CID: 162022297
• Molecular Formula: C233H319N16O4S4+
• Molecular Weight: 3536.49 g/mol
• Exact Mass: 3533.41
• IUPAC Name: 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine
• SMILES: C1=C[N+](c2ccccc2)=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nn(-c2ccccc2)c2ccccc12.c1ccc(-c2cc3ccccc3cn2)cc1.c1ccc(-c2cc3ccccc3o2)nc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccco2)nc1.c1ccc(-c2cccs2)nc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2ncco2)cc1.c1ccc(-c2nccs2)cc1.c1ccc2c(c1)ccc1cccnc12
• InChI: InChI=1S/3C15H11N.C14H12N2.2C13H9NO.2C13H9NS.C13H9N.C9H9N2.2C9H7NO.2C9H7NS.32C2H6/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-11-13-9-5-6-10-14(13)16(15-11)12-7-3-2-4-8-12;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;32*1-2/h3*1-11H;2-10H,1H3;4*1-9H;1-9H;1-6,8H,7H2;4*1-7H;32*1-2H3/q;;;;;;;;;+1
• InChIKey: SEOTWLOSNYISAB-UHFFFAOYSA-N
• XLogP: 78.80
• TPSA: 240.43 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3536.49
LogP ≤ 5	78.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine?

The IUPAC name of 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine (CID 162022297) is 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine.

What is the SMILES notation for 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine?

The canonical SMILES for 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine is C1=C[N+](c2ccccc2)=NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nn(-c2ccccc2)c2ccccc12.c1ccc(-c2cc3ccccc3cn2)cc1.c1ccc(-c2cc3ccccc3o2)nc1.c1ccc(-c2cc3ccccc3s2)nc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccco2)nc1.c1ccc(-c2cccs2)nc1.c1ccc(-c2nc3ccccc3o2)cc1.c1ccc(-c2nc3ccccc3s2)cc1.c1ccc(-c2nccc3ccccc23)cc1.c1ccc(-c2ncco2)cc1.c1ccc(-c2nccs2)cc1.c1ccc2c(c1)ccc1cccnc12.

What is the InChIKey of 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine?

The InChIKey is SEOTWLOSNYISAB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H11N.C14H12N2.2C13H9NO.2C13H9NS.C13H9N.C9H9N2.2C9H7NO.2C9H7NS.32C2H6/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-11-13-9-5-6-10-14(13)16(15-11)12-7-3-2-4-8-12;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-8(5-3-1)9-10-6-7-11-9;32*1-2/h3*1-11H;2-10H,1H3;4*1-9H;1-9H;1-6,8H,7H2;4*1-7H;32*1-2H3/q;;;;;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine?

2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine has a molecular weight of 3536.49 g/mol, XLogP of 78.80, 13 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)pyridine;benzo[h]quinoline;2-(1-benzothiophen-2-yl)pyridine;ethane;2-(furan-2-yl)pyridine;3-methyl-1-phenylindazole;2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenyl-1,3-oxazole;1-phenyl-3H-pyrazol-1-ium;2-phenylquinoline;2-phenyl-1,3-thiazole;2-thiophen-2-ylpyridine is sourced from PubChem (CID 162022297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).