3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine

C255H378ClF7N12O7 — CID 158191902

About 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine

3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 158191902) has the molecular formula C255H378ClF7N12O7 and a molecular weight of 3892.34 g/mol. Its IUPAC name is 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine
• PubChem CID: 158191902
• Molecular Formula: C255H378ClF7N12O7
• Molecular Weight: 3892.34 g/mol
• Exact Mass: 3888.92
• IUPAC Name: 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine
• SMILES: C.C.C.CC(C)N1CCCC(C(F)(F)F)C1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(OC[C@H](O)CO)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cncc(Cl)c1.CC1CCCC(C(C)C)C1.CC[C@H](O)COc1cccc(C(C)C)c1.CCc1cccc(C(C)C)c1.COc1ncc(C(C)C)c(OC)n1.Cc1ccc(C(C)C)cc1N1CCC(C)C1.Cc1ccc(C(C)C)cc1N1CCC(F)C1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.[C-]#[N+]c1ccccc1C(C)C
• InChI: InChI=1S/C15H23N.C14H20FN.C13H19N.C13H20O2.C12H18O3.C11H17N.C11H16.C10H11N.C10H20.9C10H14.C9H10F3N.C9H16F3N.C9H14N2O2.2C9H13N.C8H10ClN.3CH4/c1-11(2)14-6-5-13(4)15(9-14)16-8-7-12(3)10-16;1-10(2)12-5-4-11(3)14(8-12)16-7-6-13(15)9-16;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;9*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-6(2)7-5-10-9(13-4)11-8(7)12-3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;;;/h5-6,9,11-12H,7-8,10H2,1-4H3;4-5,8,10,13H,6-7,9H2,1-3H3;5-7,10-11H,3-4,8-9H2,1-2H3;5-8,10,12,14H,4,9H2,1-3H3;3-6,9,11,13-14H,7-8H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;4-8H,1-2H3;8-10H,4-7H2,1-3H3;9*4-8H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3-6H,1-2H3;3*1H4/t;;;12-;11-;;;;;;;;;;;;;;;;;;;;;;/m...01....................../s1
• InChIKey: FZWASNXONHGHIX-BIUYELLJSA-N
• XLogP: 73.99
• TPSA: 195.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 39
• Heavy Atoms: 282
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3892.34
LogP ≤ 5	73.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine?

The IUPAC name of 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine (CID 158191902) is 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine is C.C.C.CC(C)N1CCCC(C(F)(F)F)C1.CC(C)c1cccc(N(C)C)c1.CC(C)c1cccc(N2CCCC2)c1.CC(C)c1cccc(OC[C@H](O)CO)c1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cncc(Cl)c1.CC1CCCC(C(C)C)C1.CC[C@H](O)COc1cccc(C(C)C)c1.CCc1cccc(C(C)C)c1.COc1ncc(C(C)C)c(OC)n1.Cc1ccc(C(C)C)cc1N1CCC(C)C1.Cc1ccc(C(C)C)cc1N1CCC(F)C1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.[C-]#[N+]c1ccccc1C(C)C.

What is the InChIKey of 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine?

The InChIKey is FZWASNXONHGHIX-BIUYELLJSA-N. The full InChI is InChI=1S/C15H23N.C14H20FN.C13H19N.C13H20O2.C12H18O3.C11H17N.C11H16.C10H11N.C10H20.9C10H14.C9H10F3N.C9H16F3N.C9H14N2O2.2C9H13N.C8H10ClN.3CH4/c1-11(2)14-6-5-13(4)15(9-14)16-8-7-12(3)10-16;1-10(2)12-5-4-11(3)14(8-12)16-7-6-13(15)9-16;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14;1-4-12(14)9-15-13-7-5-6-11(8-13)10(2)3;1-9(2)10-4-3-5-12(6-10)15-8-11(14)7-13;1-9(2)10-6-5-7-11(8-10)12(3)4;1-4-10-6-5-7-11(8-10)9(2)3;1-8(2)9-6-4-5-7-10(9)11-3;9*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-7(2)13-5-3-4-8(6-13)9(10,11)12;1-6(2)7-5-10-9(13-4)11-8(7)12-3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-8(9)5-10-4-7;;;/h5-6,9,11-12H,7-8,10H2,1-4H3;4-5,8,10,13H,6-7,9H2,1-3H3;5-7,10-11H,3-4,8-9H2,1-2H3;5-8,10,12,14H,4,9H2,1-3H3;3-6,9,11,13-14H,7-8H2,1-2H3;5-9H,1-4H3;5-9H,4H2,1-3H3;4-8H,1-2H3;8-10H,4-7H2,1-3H3;9*4-8H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3-6H,1-2H3;3*1H4/t;;;12-;11-;;;;;;;;;;;;;;;;;;;;;;/m...01....................../s1.

What are the key properties of 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine?

3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 3892.34 g/mol, XLogP of 73.99, 39 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-propan-2-ylpyridine;2,4-dimethoxy-5-propan-2-ylpyrimidine;N,N-dimethyl-3-propan-2-ylaniline;1-ethyl-3-propan-2-ylbenzene;3-fluoro-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-isocyano-2-propan-2-ylbenzene;methane;3-methyl-1-(2-methyl-5-propan-2-ylphenyl)pyrrolidine;1-methyl-2-propan-2-ylbenzene;octakis(1-methyl-3-propan-2-ylbenzene);1-methyl-3-propan-2-ylcyclohexane;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;(2S)-1-(3-propan-2-ylphenoxy)butan-2-ol;(2R)-3-(3-propan-2-ylphenoxy)propane-1,2-diol;1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)piperidine;3-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158191902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).