3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid

C157H151Cl2N11O27 — CID 159229116

About 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid

3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid (PubChem CID 159229116) has the molecular formula C157H151Cl2N11O27 and a molecular weight of 2694.89 g/mol. Its IUPAC name is 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid
• PubChem CID: 159229116
• Molecular Formula: C157H151Cl2N11O27
• Molecular Weight: 2694.89 g/mol
• Exact Mass: 2692.02
• IUPAC Name: 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid
• SMILES: C#Cc1ccc(CCc2cnccc2C(=O)O)cc1.CN(C)Cc1ccccc1CCc1cnccc1C(=O)O.COc1ccc(CCc2cnccc2C(=O)O)c(OC)c1.Cc1cc(CCc2cnccc2C(=O)O)ccc1Cl.Cc1ccc(CCc2cnccc2C(=O)O)c(C)c1.Cc1ccc(CCc2cnccc2C(=O)O)c(Cl)c1.O=C(O)c1ccncc1CCC1COc2ccccc2O1.O=C(O)c1ccncc1CCC1Cc2ccccc2O1.O=C(O)c1ccncc1CCc1ccccc1O.O=C(O)c1ccncc1CCc1coc2ccccc12
• InChI: InChI=1S/C17H20N2O2.C16H15NO4.C16H17NO4.C16H13NO3.C16H15NO3.C16H17NO2.C16H13NO2.2C15H14ClNO2.C14H13NO3/c1-19(2)12-15-6-4-3-5-13(15)7-8-14-11-18-10-9-16(14)17(20)21;18-16(19)13-7-8-17-9-11(13)5-6-12-10-20-14-3-1-2-4-15(14)21-12;1-20-13-6-5-11(15(9-13)21-2)3-4-12-10-17-8-7-14(12)16(18)19;18-16(19)14-7-8-17-9-11(14)5-6-12-10-20-15-4-2-1-3-13(12)15;18-16(19)14-7-8-17-10-12(14)5-6-13-9-11-3-1-2-4-15(11)20-13;1-11-3-4-13(12(2)9-11)5-6-14-10-17-8-7-15(14)16(18)19;1-2-12-3-5-13(6-4-12)7-8-14-11-17-10-9-15(14)16(18)19;1-10-8-11(3-5-14(10)16)2-4-12-9-17-7-6-13(12)15(18)19;1-10-2-3-11(14(16)8-10)4-5-12-9-17-7-6-13(12)15(18)19;16-13-4-2-1-3-10(13)5-6-11-9-15-8-7-12(11)14(17)18/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21);1-4,7-9,12H,5-6,10H2,(H,18,19);5-10H,3-4H2,1-2H3,(H,18,19);1-4,7-10H,5-6H2,(H,18,19);1-4,7-8,10,13H,5-6,9H2,(H,18,19);3-4,7-10H,5-6H2,1-2H3,(H,18,19);1,3-6,9-11H,7-8H2,(H,18,19);3,5-9H,2,4H2,1H3,(H,18,19);2-3,6-9H,4-5H2,1H3,(H,18,19);1-4,7-9,16H,5-6H2,(H,17,18)
• InChIKey: KSQZLUZOGUWLHX-UHFFFAOYSA-N
• XLogP: 28.84
• TPSA: 584.66 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 44
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2694.89
LogP ≤ 5	28.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid (CID 159229116) is 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid is C#Cc1ccc(CCc2cnccc2C(=O)O)cc1.CN(C)Cc1ccccc1CCc1cnccc1C(=O)O.COc1ccc(CCc2cnccc2C(=O)O)c(OC)c1.Cc1cc(CCc2cnccc2C(=O)O)ccc1Cl.Cc1ccc(CCc2cnccc2C(=O)O)c(C)c1.Cc1ccc(CCc2cnccc2C(=O)O)c(Cl)c1.O=C(O)c1ccncc1CCC1COc2ccccc2O1.O=C(O)c1ccncc1CCC1Cc2ccccc2O1.O=C(O)c1ccncc1CCc1ccccc1O.O=C(O)c1ccncc1CCc1coc2ccccc12.

What is the InChIKey of 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid?

The InChIKey is KSQZLUZOGUWLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.C16H15NO4.C16H17NO4.C16H13NO3.C16H15NO3.C16H17NO2.C16H13NO2.2C15H14ClNO2.C14H13NO3/c1-19(2)12-15-6-4-3-5-13(15)7-8-14-11-18-10-9-16(14)17(20)21;18-16(19)13-7-8-17-9-11(13)5-6-12-10-20-14-3-1-2-4-15(14)21-12;1-20-13-6-5-11(15(9-13)21-2)3-4-12-10-17-8-7-14(12)16(18)19;18-16(19)14-7-8-17-9-11(14)5-6-12-10-20-15-4-2-1-3-13(12)15;18-16(19)14-7-8-17-10-12(14)5-6-13-9-11-3-1-2-4-15(11)20-13;1-11-3-4-13(12(2)9-11)5-6-14-10-17-8-7-15(14)16(18)19;1-2-12-3-5-13(6-4-12)7-8-14-11-17-10-9-15(14)16(18)19;1-10-8-11(3-5-14(10)16)2-4-12-9-17-7-6-13(12)15(18)19;1-10-2-3-11(14(16)8-10)4-5-12-9-17-7-6-13(12)15(18)19;16-13-4-2-1-3-10(13)5-6-11-9-15-8-7-12(11)14(17)18/h3-6,9-11H,7-8,12H2,1-2H3,(H,20,21);1-4,7-9,12H,5-6,10H2,(H,18,19);5-10H,3-4H2,1-2H3,(H,18,19);1-4,7-10H,5-6H2,(H,18,19);1-4,7-8,10,13H,5-6,9H2,(H,18,19);3-4,7-10H,5-6H2,1-2H3,(H,18,19);1,3-6,9-11H,7-8H2,(H,18,19);3,5-9H,2,4H2,1H3,(H,18,19);2-3,6-9H,4-5H2,1H3,(H,18,19);1-4,7-9,16H,5-6H2,(H,17,18).

What are the key properties of 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid?

3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 2694.89 g/mol, XLogP of 28.84, 44 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(1-benzofuran-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-chloro-4-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-chloro-3-methylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,3-dihydro-1-benzofuran-2-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethoxyphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]pyridine-4-carboxylic acid;3-[2-(2,4-dimethylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(4-ethynylphenyl)ethyl]pyridine-4-carboxylic acid;3-[2-(2-hydroxyphenyl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159229116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).