2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine

C146H199Cl2F9N20O8S — CID 160810004

About 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine

2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine (PubChem CID 160810004) has the molecular formula C146H199Cl2F9N20O8S and a molecular weight of 2636.28 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
• PubChem CID: 160810004
• Molecular Formula: C146H199Cl2F9N20O8S
• Molecular Weight: 2636.28 g/mol
• Exact Mass: 2633.47
• IUPAC Name: 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine
• SMILES: CC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(/N=C(\N)NC#N)c1.CC(C)Cc1cccc(C/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(S(N)(=O)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(Cl)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cc(CC(C)C)ccn1
• InChI: InChI=1S/C14H21NO.C13H18N4.C13H19NO.C12H16N4.C12H18N2O.C11H12ClF3O.C11H13F3O.C11H16N2O.C10H12F3N.C10H12N2.C10H15NO2S.C10H15N.C9H12ClN/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-10(2)6-11-4-3-5-12(7-11)8-16-13(15)17-9-14;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)16-12(14)15-8-13;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(13,14)15;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-8(2)6-9-4-3-5-10(7-9)14(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-11-9(10)6-8/h6-9H,10H2,1-5H3;3-5,7,10H,6,8H2,1-2H3,(H3,15,16,17);5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6H2,1-2H3,(H3,14,15,16);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);3-4,6-7H,5H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,11,12,13);3-6,8H,7,11H2,1-2H3;3-4,6-7H,5H2,1-2H3
• InChIKey: SEEQACXWDILAEP-UHFFFAOYSA-N
• XLogP: 35.00
• TPSA: 455.72 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.28
LogP ≤ 5	35.00
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine (CID 160810004) is 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine is CC(C)Cc1cc(Cl)cc(OC(F)(F)F)c1.CC(C)Cc1ccc(N)cc1.CC(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cccc(/N=C(\N)NC#N)c1.CC(C)Cc1cccc(C/N=C(\N)NC#N)c1.CC(C)Cc1cccc(CNC(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(S(N)(=O)=O)c1.CC(C)Cc1ccnc(C(F)(F)F)c1.CC(C)Cc1ccnc(Cl)c1.CN(C)C(=O)c1ccc(CC(C)(C)C)cc1.CNC(=O)c1ccc(CC(C)(C)C)cc1.[C-]#[N+]c1cc(CC(C)C)ccn1.

What is the InChIKey of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?

The InChIKey is SEEQACXWDILAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C13H18N4.C13H19NO.C12H16N4.C12H18N2O.C11H12ClF3O.C11H13F3O.C11H16N2O.C10H12F3N.C10H12N2.C10H15NO2S.C10H15N.C9H12ClN/c1-14(2,3)10-11-6-8-12(9-7-11)13(16)15(4)5;1-10(2)6-11-4-3-5-12(7-11)8-16-13(15)17-9-14;1-13(2,3)9-10-5-7-11(8-6-10)12(15)14-4;1-9(2)6-10-4-3-5-11(7-10)16-12(14)15-8-13;1-9(2)6-10-4-3-5-11(7-10)8-14-12(13)15;1-7(2)3-8-4-9(12)6-10(5-8)16-11(13,14)15;1-8(2)7-9-3-5-10(6-4-9)15-11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-7(2)5-8-3-4-14-9(6-8)10(11,12)13;1-8(2)6-9-4-5-12-10(7-9)11-3;1-8(2)6-9-4-3-5-10(7-9)14(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9;1-7(2)5-8-3-4-11-9(10)6-8/h6-9H,10H2,1-5H3;3-5,7,10H,6,8H2,1-2H3,(H3,15,16,17);5-8H,9H2,1-4H3,(H,14,15);3-5,7,9H,6H2,1-2H3,(H3,14,15,16);3-5,7,9H,6,8H2,1-2H3,(H3,13,14,15);4-7H,3H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);3-4,6-7H,5H2,1-2H3;4-5,7-8H,6H2,1-2H3;3-5,7-8H,6H2,1-2H3,(H2,11,12,13);3-6,8H,7,11H2,1-2H3;3-4,6-7H,5H2,1-2H3.

What are the key properties of 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine?

2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine has a molecular weight of 2636.28 g/mol, XLogP of 35.00, 35 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N,N-dimethylbenzamide;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzenesulfonamide;[3-(2-methylpropyl)phenyl]methylurea;[3-(2-methylpropyl)phenyl]urea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160810004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).