2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene

C228H328Cl3FN18OS5 — CID 161020831

About 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene

2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene (PubChem CID 161020831) has the molecular formula C228H328Cl3FN18OS5 and a molecular weight of 3622.95 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene
• PubChem CID: 161020831
• Molecular Formula: C228H328Cl3FN18OS5
• Molecular Weight: 3622.95 g/mol
• Exact Mass: 3618.38
• IUPAC Name: 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene
• SMILES: C.C.C.CC(C)C1=CCC=C1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccns1.CC(C)c1cnn(C)c1.CC(C)c1sccc1Cl.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)n1C.Cc1ccc(C(C)C)s1.Cc1ccc(C(C)C)s1
• InChI: InChI=1S/C12H13N.C11H17N.C10H11N.3C10H14.C9H12ClN.C9H15N.6C9H13N.C8H10ClN.C8H10FN.2C8H11N.2C8H12S.C8H12.C7H9ClS.C7H12N2.C7H10O.C7H10S.C6H9NS.3CH4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-5-3-4-9(6-10)7-11;3*1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)9-6-5-8(3)10(9)4;4*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-3-5-9(10)6-4-8;2*1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-8-9(3)5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;;;/h3-9H,1-2H3;5-9H,1-4H3;3-6,8H,1-2H3;3*4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5*4-7H,1-3H3;3-7H,10H2,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;3*1H4
• InChIKey: TYIOXKPUCAZJGO-UHFFFAOYSA-N
• XLogP: 71.87
• TPSA: 243.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3622.95
LogP ≤ 5	71.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene?

The IUPAC name of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene (CID 161020831) is 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene.

What is the SMILES notation for 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene?

The canonical SMILES for 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene is C.C.C.CC(C)C1=CCC=C1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1ccc(N)cc1.CC(C)c1cccc(C#N)c1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1ccns1.CC(C)c1cnn(C)c1.CC(C)c1sccc1Cl.Cc1cc(C(C)C)cc(Cl)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)n1C.Cc1ccc(C(C)C)s1.Cc1ccc(C(C)C)s1.

What is the InChIKey of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene?

The InChIKey is TYIOXKPUCAZJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H17N.C10H11N.3C10H14.C9H12ClN.C9H15N.6C9H13N.C8H10ClN.C8H10FN.2C8H11N.2C8H12S.C8H12.C7H9ClS.C7H12N2.C7H10O.C7H10S.C6H9NS.3CH4/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)10-5-7-11(8-6-10)12(3)4;1-8(2)10-5-3-4-9(6-10)7-11;3*1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)9-6-5-8(3)10(9)4;4*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)8-3-5-9(10)6-4-8;2*1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-6(2)8-5-4-7(3)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-8-9(3)5-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;;;/h3-9H,1-2H3;5-9H,1-4H3;3-6,8H,1-2H3;3*4-8H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;5*4-7H,1-3H3;3-7H,10H2,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*4-6H,1-3H3;3,5-7H,4H2,1-2H3;3-5H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;3*1H4.

What are the key properties of 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene?

2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene has a molecular weight of 3622.95 g/mol, XLogP of 71.87, 27 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;N,N-dimethyl-4-propan-2-ylaniline;1,2-dimethyl-5-propan-2-ylpyrrole;2-fluoro-3-propan-2-ylpyridine;methane;tris(1-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylpyrazole;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylthiophene);4-propan-2-ylaniline;3-propan-2-ylbenzonitrile;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 161020831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).