2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene

C215H298Cl3F3N14O2S4 — CID 161368260

About 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene

2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene (PubChem CID 161368260) has the molecular formula C215H298Cl3F3N14O2S4 and a molecular weight of 3402.47 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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene
• PubChem CID: 161368260
• Molecular Formula: C215H298Cl3F3N14O2S4
• Molecular Weight: 3402.47 g/mol
• Exact Mass: 3398.15
• IUPAC Name: 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene
• SMILES: CC(C)C1=CCC=C1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1sccc1Cl.Cc1c(F)cc(C(C)C)cc1F.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)s1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1
• InChI: InChI=1S/C12H13N.C11H17N.C10H12F2.4C10H14.C9H12ClN.2C9H13NO.5C9H13N.C8H10ClN.C8H10FN.2C8H11N.2C8H12S.C8H12.C7H9ClS.C7H10S/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;1-6(2)8-4-9(11)7(3)10(12)5-8;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)8-5-4-6-10(3)9(8)11;4*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;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)7-4-3-5-8-7/h3-9H,1-2H3;5-9H,1-4H3;4-6H,1-3H3;4*4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5*4-7H,1-3H3;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;3-6H,1-2H3
• InChIKey: VQCNATKJFYWUBF-UHFFFAOYSA-N
• XLogP: 65.75
• TPSA: 189.03 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3402.47
LogP ≤ 5	65.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene (CID 161368260) is 2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene is CC(C)C1=CCC=C1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccn(C)c1=O.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cccs1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.CC(C)c1sccc1Cl.Cc1c(F)cc(C(C)C)cc1F.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)s1.Cc1ccc(C(C)C)s1.Cc1cccc(C(C)C)c1.

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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene?

The InChIKey is VQCNATKJFYWUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H17N.C10H12F2.4C10H14.C9H12ClN.2C9H13NO.5C9H13N.C8H10ClN.C8H10FN.2C8H11N.2C8H12S.C8H12.C7H9ClS.C7H10S/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;1-6(2)8-4-9(11)7(3)10(12)5-8;3*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-6(2)8-4-7(3)11-9(10)5-8;1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)8-5-4-6-10(3)9(8)11;4*1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;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)7-4-3-5-8-7/h3-9H,1-2H3;5-9H,1-4H3;4-6H,1-3H3;4*4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3;5*4-7H,1-3H3;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;3-6H,1-2H3.

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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene?

2-chloro-6-methyl-4-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene has a molecular weight of 3402.47 g/mol, XLogP of 65.75, 25 rotatable bonds, 0 hydrogen bond donors, and 20 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;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-2-one;1-methyl-5-propan-2-ylpyridin-2-one;bis(2-methyl-5-propan-2-ylthiophene);2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;2-propan-2-ylthiophene is sourced from PubChem (CID 161368260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).