1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine

C159H156Cl9F4N13O4S4 — CID 159896510

About 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine

1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine (PubChem CID 159896510) has the molecular formula C159H156Cl9F4N13O4S4 and a molecular weight of 2836.42 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine
• PubChem CID: 159896510
• Molecular Formula: C159H156Cl9F4N13O4S4
• Molecular Weight: 2836.42 g/mol
• Exact Mass: 2829.84
• IUPAC Name: 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine
• SMILES: COc1cc(C)ccc1Cl.COc1ccc(C)cc1.COc1ccc(C)cn1.COc1cccc(C)c1.Cc1cc2cc(Cl)cnc2s1.Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)nc1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1cccc(C#N)c1.Cc1cccc(Cl)c1.Cc1ccccc1F.Cc1ccnc(N)c1.Cc1sc(Cl)cc1Cl.[C-]#[N+]c1ccc(C)cc1
• InChI: InChI=1S/C10H8ClN.2C10H11N.C10H9N.C9H8ClN.C9H7FS.C8H6ClNS.C8H9ClO.C8H6FNS.2C8H7N.2C8H10O.C7H6ClF.C7H7Cl.C7H7F.C7H9NO.C6H6ClN.C6H8N2.C5H4Cl2S/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-2-3-10-7-11-5-4-9(10)6-8;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-7(9)8(5-6)10-2;1-5-4-6-2-3-7(9)10-8(6)11-5;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-4-7(9-2)8-5-6;1-5-2-3-6(7)8-4-5;1-5-2-3-8-6(7)4-5;1-3-4(6)2-5(7)8-3/h2-6H,1H3;2*3-6,11H,1-2H3;2-7H,1H3;2-5,11H,1H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-6H,1H3;2-5H,1H3;2*3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-4H,1H3,(H2,7,8);2H,1H3
• InChIKey: NVKGQCNTSDLGFS-UHFFFAOYSA-N
• XLogP: 50.21
• TPSA: 228.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 4
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2836.42
LogP ≤ 5	50.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine?

The IUPAC name of 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine (CID 159896510) is 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine.

What is the SMILES notation for 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine?

The canonical SMILES for 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine is COc1cc(C)ccc1Cl.COc1ccc(C)cc1.COc1ccc(C)cn1.COc1cccc(C)c1.Cc1cc2cc(Cl)cnc2s1.Cc1cc2ccc(F)cc2s1.Cc1cc2ccc(F)nc2s1.Cc1ccc(Cl)c(F)c1.Cc1ccc(Cl)nc1.Cc1ccc2[nH]c(C)cc2c1.Cc1ccc2c(C)c[nH]c2c1.Cc1ccc2c(Cl)c[nH]c2c1.Cc1ccc2cnccc2c1.Cc1ccc2nc(Cl)ccc2c1.Cc1cccc(C#N)c1.Cc1cccc(Cl)c1.Cc1ccccc1F.Cc1ccnc(N)c1.Cc1sc(Cl)cc1Cl.[C-]#[N+]c1ccc(C)cc1.

What is the InChIKey of 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine?

The InChIKey is NVKGQCNTSDLGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN.2C10H11N.C10H9N.C9H8ClN.C9H7FS.C8H6ClNS.C8H9ClO.C8H6FNS.2C8H7N.2C8H10O.C7H6ClF.C7H7Cl.C7H7F.C7H9NO.C6H6ClN.C6H8N2.C5H4Cl2S/c1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-8(2)6-11-10(9)5-7;1-8-2-3-10-7-11-5-4-9(10)6-8;1-6-2-3-7-8(10)5-11-9(7)4-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-2-6-3-7(9)4-10-8(6)11-5;1-6-3-4-7(9)8(5-6)10-2;1-5-4-6-2-3-7(9)10-8(6)11-5;1-7-3-5-8(9-2)6-4-7;1-7-3-2-4-8(5-7)6-9;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-5-2-3-6(8)7(9)4-5;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-3-4-7(9-2)8-5-6;1-5-2-3-6(7)8-4-5;1-5-2-3-8-6(7)4-5;1-3-4(6)2-5(7)8-3/h2-6H,1H3;2*3-6,11H,1-2H3;2-7H,1H3;2-5,11H,1H3;2-5H,1H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3-6H,1H3;2-5H,1H3;2*3-6H,1-2H3;2-4H,1H3;2*2-5H,1H3;3-5H,1-2H3;2-4H,1H3;2-4H,1H3,(H2,7,8);2H,1H3.

What are the key properties of 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine?

1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine has a molecular weight of 2836.42 g/mol, XLogP of 50.21, 4 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-fluoro-4-methylbenzene;1-chloro-2-methoxy-4-methylbenzene;1-chloro-3-methylbenzene;3-chloro-6-methyl-1H-indole;2-chloro-5-methylpyridine;2-chloro-6-methylquinoline;5-chloro-2-methylthieno[2,3-b]pyridine;3,5-dichloro-2-methylthiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;1-fluoro-2-methylbenzene;6-fluoro-2-methyl-1-benzothiophene;6-fluoro-2-methylthieno[2,3-b]pyridine;1-isocyano-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methylbenzonitrile;6-methylisoquinoline;4-methylpyridin-2-amine is sourced from PubChem (CID 159896510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).