2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde

C97H76F5N9O11S3 — CID 157445772

About 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde

2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde (PubChem CID 157445772) has the molecular formula C97H76F5N9O11S3 and a molecular weight of 1734.92 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde
• PubChem CID: 157445772
• Molecular Formula: C97H76F5N9O11S3
• Molecular Weight: 1734.92 g/mol
• Exact Mass: 1733.47
• IUPAC Name: 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde
• SMILES: C=Cc1ccnc(-c2cccn2C(=O)OC(C)(C)C)c1.C=Cc1nc(-c2ccsc2)ccc1F.CC(F)(F)c1ccc(-c2cc(C=O)ccn2)s1.CC(F)(F)c1ccc(-c2ncccc2C=O)cc1.O=Cc1cccnc1-c1cc2ccccc2o1.O=Cc1ccnc(-c2ccco2)c1.O=Cc1ccnc(-c2ccoc2)c1.O=Cc1ccnc(-c2ccsc2)c1
• InChI: InChI=1S/C16H18N2O2.C14H11F2NO.C14H9NO2.C12H9F2NOS.C11H8FNS.2C10H7NO2.C10H7NOS/c1-5-12-8-9-17-13(11-12)14-7-6-10-18(14)15(19)20-16(2,3)4;1-14(15,16)12-6-4-10(5-7-12)13-11(9-18)3-2-8-17-13;16-9-11-5-3-7-15-14(11)13-8-10-4-1-2-6-12(10)17-13;1-12(13,14)11-3-2-10(17-11)9-6-8(7-16)4-5-15-9;1-2-10-9(12)3-4-11(13-10)8-5-6-14-7-8;12-6-8-1-3-11-10(5-8)9-2-4-13-7-9;12-7-8-3-4-11-9(6-8)10-2-1-5-13-10;12-6-8-1-3-11-10(5-8)9-2-4-13-7-9/h5-11H,1H2,2-4H3;2-9H,1H3;1-9H;2-7H,1H3;2-7H,1H2;3*1-7H
• InChIKey: BSEYMFSPJYPSRD-UHFFFAOYSA-N
• XLogP: 25.21
• TPSA: 276.19 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1734.92
LogP ≤ 5	25.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde?

The IUPAC name of 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde (CID 157445772) is 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde.

What is the SMILES notation for 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde?

The canonical SMILES for 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde is C=Cc1ccnc(-c2cccn2C(=O)OC(C)(C)C)c1.C=Cc1nc(-c2ccsc2)ccc1F.CC(F)(F)c1ccc(-c2cc(C=O)ccn2)s1.CC(F)(F)c1ccc(-c2ncccc2C=O)cc1.O=Cc1cccnc1-c1cc2ccccc2o1.O=Cc1ccnc(-c2ccco2)c1.O=Cc1ccnc(-c2ccoc2)c1.O=Cc1ccnc(-c2ccsc2)c1.

What is the InChIKey of 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde?

The InChIKey is BSEYMFSPJYPSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C14H11F2NO.C14H9NO2.C12H9F2NOS.C11H8FNS.2C10H7NO2.C10H7NOS/c1-5-12-8-9-17-13(11-12)14-7-6-10-18(14)15(19)20-16(2,3)4;1-14(15,16)12-6-4-10(5-7-12)13-11(9-18)3-2-8-17-13;16-9-11-5-3-7-15-14(11)13-8-10-4-1-2-6-12(10)17-13;1-12(13,14)11-3-2-10(17-11)9-6-8(7-16)4-5-15-9;1-2-10-9(12)3-4-11(13-10)8-5-6-14-7-8;12-6-8-1-3-11-10(5-8)9-2-4-13-7-9;12-7-8-3-4-11-9(6-8)10-2-1-5-13-10;12-6-8-1-3-11-10(5-8)9-2-4-13-7-9/h5-11H,1H2,2-4H3;2-9H,1H3;1-9H;2-7H,1H3;2-7H,1H2;3*1-7H.

What are the key properties of 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde?

2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde has a molecular weight of 1734.92 g/mol, XLogP of 25.21, 18 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-3-carbaldehyde;tert-butyl 2-(4-ethenyl-2-pyridinyl)pyrrole-1-carboxylate;2-[4-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-4-carbaldehyde;2-ethenyl-3-fluoro-6-thiophen-3-ylpyridine;2-(furan-2-yl)pyridine-4-carbaldehyde;2-(furan-3-yl)pyridine-4-carbaldehyde;2-thiophen-3-ylpyridine-4-carbaldehyde is sourced from PubChem (CID 157445772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).