3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine

C187H248ClF9N14O2S — CID 158437834

About 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine

3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine (PubChem CID 158437834) has the molecular formula C187H248ClF9N14O2S and a molecular weight of 2962.64 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
• PubChem CID: 158437834
• Molecular Formula: C187H248ClF9N14O2S
• Molecular Weight: 2962.64 g/mol
• Exact Mass: 2959.90
• IUPAC Name: 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine
• SMILES: CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CN(C)C.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C
• InChI: InChI=1S/C12H19N.C11H16.C10H11F3.C10H11N.C10H14O.2C10H14.C9H10F3N.2C9H11F.C9H10N2.C9H13N.C9H12.C8H10ClN.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7/h5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3
• InChIKey: HCLJQIJPFJUWOE-UHFFFAOYSA-N
• XLogP: 56.42
• TPSA: 214.98 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2962.64
LogP ≤ 5	56.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

The IUPAC name of 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine (CID 158437834) is 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine.

What is the SMILES notation for 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

The canonical SMILES for 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine is CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1CN(C)C.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1ncccc1C#N.CC(C)c1ncccc1C(F)(F)F.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1ccccc1C(C)C.COc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1cccnc1C(C)C.

What is the InChIKey of 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

The InChIKey is HCLJQIJPFJUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H16.C10H11F3.C10H11N.C10H14O.2C10H14.C9H10F3N.2C9H11F.C9H10N2.C9H13N.C9H12.C8H10ClN.C8H10FN.2C8H11N.2C7H10N2.C7H10O.C7H10S/c1-10(2)12-8-6-5-7-11(12)9-13(3)4;1-4-10-7-5-6-8-11(10)9(2)3;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;2*1-8(2)10-7-5-4-6-9(10)3;1-6(2)8-7(9(10,11)12)4-3-5-13-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)8-7(9)4-3-5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7/h5-8,10H,9H2,1-4H3;5-9H,4H2,1-3H3;3-7H,1-2H3;3-6,8H,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;3-6H,1-2H3;2*3-7H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;3-8H,1-2H3;2*3-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3.

What are the key properties of 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine?

3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine has a molecular weight of 2962.64 g/mol, XLogP of 56.42, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-propan-2-ylpyridine;cumene;N,N-dimethyl-1-(2-propan-2-ylphenyl)methanamine;1-ethyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);3-methyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-ylfuran;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyrimidine;2-propan-2-ylthiophene;1-propan-2-yl-2-(trifluoromethyl)benzene;2-propan-2-yl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 158437834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).