4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine

C170H183ClN18O6 — CID 163822110

About 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine

4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine (PubChem CID 163822110) has the molecular formula C170H183ClN18O6 and a molecular weight of 2609.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine
• PubChem CID: 163822110
• Molecular Formula: C170H183ClN18O6
• Molecular Weight: 2609.91 g/mol
• Exact Mass: 2607.43
• IUPAC Name: 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine
• SMILES: C=C=C=C=C/C=C/c1ccncc1C.CC(C)=CCCC(C)c1cncc(C)c1.COc1ccc(-c2ccncc2C)cc1.Cc1ccncc1C.Cc1cnc(C(=O)CC(C)C)c2c1c1ccccc1n2C.Cc1cncc(C)c1-c1ccccc1.Cc1cncc(C)c1C.Cc1cnccc1-c1cc2ccccc2n1C.Cc1cnccc1-c1ccc(Cl)cc1.Cc1cnccc1-c1ccc([N+](=O)[O-])cc1.Cc1cnccc1-c1ccccc1.Cc1cnccc1-c1ccco1.Cn1c(C(O)Cc2cncc3c2c2ccccc2n3C)cc2ccccc21.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H21N3O.C18H20N2O.C15H14N2.C14H21N.C13H13NO.C13H13N.C13H11N.C12H10ClN.C12H10N2O2.C12H11N.C10H9NO.C8H11N.C7H9N.5H2/c1-25-18-9-5-3-7-15(18)11-20(25)22(27)12-16-13-24-14-21-23(16)17-8-4-6-10-19(17)26(21)2;1-11(2)9-15(21)17-18-16(12(3)10-19-17)13-7-5-6-8-14(13)20(18)4;1-11-10-16-8-7-13(11)15-9-12-5-3-4-6-14(12)17(15)2;1-11(2)6-5-7-13(4)14-8-12(3)9-15-10-14;1-10-9-14-8-7-13(10)11-3-5-12(15-2)6-4-11;1-10-8-14-9-11(2)13(10)12-6-4-3-5-7-12;1-3-4-5-6-7-8-13-9-10-14-11-12(13)2;1-9-8-14-7-6-12(9)10-2-4-11(13)5-3-10;1-9-8-13-7-6-12(9)10-2-4-11(5-3-10)14(15)16;1-10-9-13-8-7-12(10)11-5-3-2-4-6-11;1-8-7-11-5-4-9(8)10-3-2-6-12-10;1-6-4-9-5-7(2)8(6)3;1-6-3-4-8-5-7(6)2;;;;;/h3-11,13-14,22,27H,12H2,1-2H3;5-8,10-11H,9H2,1-4H3;3-10H,1-2H3;6,8-10,13H,5,7H2,1-4H3;3-9H,1-2H3;3-9H,1-2H3;6-11H,1H2,2H3;2-8H,1H3;2-8H,1H3;2-9H,1H3;2-7H,1H3;4-5H,1-3H3;3-5H,1-2H3;5*1H/b;;;;;;8-7+
• InChIKey: NWHITEYSTJFYKS-WSXCUPIBSA-N
• XLogP: 43.35
• TPSA: 290.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2609.91
LogP ≤ 5	43.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine?

The IUPAC name of 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine (CID 163822110) is 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine.

What is the SMILES notation for 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine?

The canonical SMILES for 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine is C=C=C=C=C/C=C/c1ccncc1C.CC(C)=CCCC(C)c1cncc(C)c1.COc1ccc(-c2ccncc2C)cc1.Cc1ccncc1C.Cc1cnc(C(=O)CC(C)C)c2c1c1ccccc1n2C.Cc1cncc(C)c1-c1ccccc1.Cc1cncc(C)c1C.Cc1cnccc1-c1cc2ccccc2n1C.Cc1cnccc1-c1ccc(Cl)cc1.Cc1cnccc1-c1ccc([N+](=O)[O-])cc1.Cc1cnccc1-c1ccccc1.Cc1cnccc1-c1ccco1.Cn1c(C(O)Cc2cncc3c2c2ccccc2n3C)cc2ccccc21.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine?

The InChIKey is NWHITEYSTJFYKS-WSXCUPIBSA-N. The full InChI is InChI=1S/C23H21N3O.C18H20N2O.C15H14N2.C14H21N.C13H13NO.C13H13N.C13H11N.C12H10ClN.C12H10N2O2.C12H11N.C10H9NO.C8H11N.C7H9N.5H2/c1-25-18-9-5-3-7-15(18)11-20(25)22(27)12-16-13-24-14-21-23(16)17-8-4-6-10-19(17)26(21)2;1-11(2)9-15(21)17-18-16(12(3)10-19-17)13-7-5-6-8-14(13)20(18)4;1-11-10-16-8-7-13(11)15-9-12-5-3-4-6-14(12)17(15)2;1-11(2)6-5-7-13(4)14-8-12(3)9-15-10-14;1-10-9-14-8-7-13(10)11-3-5-12(15-2)6-4-11;1-10-8-14-9-11(2)13(10)12-6-4-3-5-7-12;1-3-4-5-6-7-8-13-9-10-14-11-12(13)2;1-9-8-14-7-6-12(9)10-2-4-11(13)5-3-10;1-9-8-13-7-6-12(9)10-2-4-11(5-3-10)14(15)16;1-10-9-13-8-7-12(10)11-5-3-2-4-6-11;1-8-7-11-5-4-9(8)10-3-2-6-12-10;1-6-4-9-5-7(2)8(6)3;1-6-3-4-8-5-7(6)2;;;;;/h3-11,13-14,22,27H,12H2,1-2H3;5-8,10-11H,9H2,1-4H3;3-10H,1-2H3;6,8-10,13H,5,7H2,1-4H3;3-9H,1-2H3;3-9H,1-2H3;6-11H,1H2,2H3;2-8H,1H3;2-8H,1H3;2-9H,1H3;2-7H,1H3;4-5H,1-3H3;3-5H,1-2H3;5*1H/b;;;;;;8-7+;;;;;;;;;;;.

What are the key properties of 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine?

4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine has a molecular weight of 2609.91 g/mol, XLogP of 43.35, 21 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-3-methylpyridine;3,5-dimethyl-4-phenylpyridine;3,4-dimethylpyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;4-(furan-2-yl)-3-methylpyridine;4-[(1E)-hepta-1,3,4,5,6-pentaenyl]-3-methylpyridine;4-(4-methoxyphenyl)-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-4-phenylpyridine;molecular hydrogen;3,4,5-trimethylpyridine is sourced from PubChem (CID 163822110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).