2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C96H75F6N9O12S3 — CID 161467917

About 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 161467917) has the molecular formula C96H75F6N9O12S3 and a molecular weight of 1756.90 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
• PubChem CID: 161467917
• Molecular Formula: C96H75F6N9O12S3
• Molecular Weight: 1756.90 g/mol
• Exact Mass: 1755.46
• IUPAC Name: 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
• SMILES: C.C=Cc1nc(-c2ccsc2)ccc1F.CC(C)(C)OC(=O)n1cccc1-c1cc(C=O)ccn1.CC(F)(F)c1ccc(-c2cc(C=O)ccn2)s1.O=Cc1cccnc1-c1cc2ccccc2o1.O=Cc1cccnc1-c1ccc(C(F)(F)F)cc1.O=Cc1ccnc(-c2ccco2)c1.O=Cc1cncc(-c2ccoc2)c1.O=Cc1cncc(-c2ccsc2)c1
• InChI: InChI=1S/C15H16N2O3.C14H9NO2.C13H8F3NO.C12H9F2NOS.C11H8FNS.2C10H7NO2.C10H7NOS.CH4/c1-15(2,3)20-14(19)17-8-4-5-13(17)12-9-11(10-18)6-7-16-12;16-9-11-5-3-7-15-14(11)13-8-10-4-1-2-6-12(10)17-13;14-13(15,16)11-5-3-9(4-6-11)12-10(8-18)2-1-7-17-12;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;12-6-8-3-10(5-11-4-8)9-1-2-13-7-9;12-7-8-3-4-11-9(6-8)10-2-1-5-13-10;12-6-8-3-10(5-11-4-8)9-1-2-13-7-9;/h4-10H,1-3H3;1-9H;1-8H;2-7H,1H3;2-7H,1H2;3*1-7H;1H4
• InChIKey: WCRLGRVDPNXOIF-UHFFFAOYSA-N
• XLogP: 24.93
• TPSA: 293.26 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.90
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?

The IUPAC name of 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 161467917) is 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

What is the SMILES notation for 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?

The canonical SMILES for 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is C.C=Cc1nc(-c2ccsc2)ccc1F.CC(C)(C)OC(=O)n1cccc1-c1cc(C=O)ccn1.CC(F)(F)c1ccc(-c2cc(C=O)ccn2)s1.O=Cc1cccnc1-c1cc2ccccc2o1.O=Cc1cccnc1-c1ccc(C(F)(F)F)cc1.O=Cc1ccnc(-c2ccco2)c1.O=Cc1cncc(-c2ccoc2)c1.O=Cc1cncc(-c2ccsc2)c1.

What is the InChIKey of 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?

The InChIKey is WCRLGRVDPNXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.C14H9NO2.C13H8F3NO.C12H9F2NOS.C11H8FNS.2C10H7NO2.C10H7NOS.CH4/c1-15(2,3)20-14(19)17-8-4-5-13(17)12-9-11(10-18)6-7-16-12;16-9-11-5-3-7-15-14(11)13-8-10-4-1-2-6-12(10)17-13;14-13(15,16)11-5-3-9(4-6-11)12-10(8-18)2-1-7-17-12;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;12-6-8-3-10(5-11-4-8)9-1-2-13-7-9;12-7-8-3-4-11-9(6-8)10-2-1-5-13-10;12-6-8-3-10(5-11-4-8)9-1-2-13-7-9;/h4-10H,1-3H3;1-9H;1-8H;2-7H,1H3;2-7H,1H2;3*1-7H;1H4.

What are the key properties of 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?

2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 1756.90 g/mol, XLogP of 24.93, 17 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzofuran-2-yl)pyridine-3-carbaldehyde;tert-butyl 2-(4-formyl-2-pyridinyl)pyrrole-1-carboxylate;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;5-(furan-3-yl)pyridine-3-carbaldehyde;methane;5-thiophen-3-ylpyridine-3-carbaldehyde;2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 161467917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).