2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide

C134H178ClF6N5O12S3 — CID 163580306

About 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide

2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 163580306) has the molecular formula C134H178ClF6N5O12S3 and a molecular weight of 2296.56 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide
• PubChem CID: 163580306
• Molecular Formula: C134H178ClF6N5O12S3
• Molecular Weight: 2296.56 g/mol
• Exact Mass: 2294.22
• IUPAC Name: 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide
• SMILES: CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cnc(Cl)c(F)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1
• InChI: InChI=1S/C10H12F2O.C10H12F2.C10H15NO2S.C10H11N.C10H14O2S.4C10H14O.C10H14.C9H13NO2S.C9H12O.C8H9ClFN.C8H10FN/c1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(7-5-9)11-14(3,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-5(2)6-3-7(10)8(9)11-4-6;1-6(2)7-3-4-8(9)10-5-7/h3-7,10H,1-2H3;3-7,10H,1-2H3;4-8,11H,1-3H3;3-6,8H,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12);3-7,10H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
• InChIKey: GGZRWQSZRLMSFF-UHFFFAOYSA-N
• XLogP: 37.94
• TPSA: 256.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2296.56
LogP ≤ 5	37.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide?

The IUPAC name of 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide (CID 163580306) is 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide.

What is the SMILES notation for 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide?

The canonical SMILES for 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide is CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(C(F)F)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)c1ccc(O)cc1.CC(C)c1ccc(OC(F)F)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cnc(Cl)c(F)c1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1ccc(C(C)C)cc1.

What is the InChIKey of 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide?

The InChIKey is GGZRWQSZRLMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O.C10H12F2.C10H15NO2S.C10H11N.C10H14O2S.4C10H14O.C10H14.C9H13NO2S.C9H12O.C8H9ClFN.C8H10FN/c1-7(2)8-3-5-9(6-4-8)13-10(11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)9-4-6-10(7-5-9)11-14(3,12)13;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(7-5-9)13(3,11)12;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-7(2)8-3-5-9(10)6-4-8;1-5(2)6-3-7(10)8(9)11-4-6;1-6(2)7-3-4-8(9)10-5-7/h3-7,10H,1-2H3;3-7,10H,1-2H3;4-8,11H,1-3H3;3-6,8H,1-2H3;4-8H,1-3H3;4*4-8H,1-3H3;4-8H,1-3H3;3-7H,1-2H3,(H2,10,11,12);3-7,10H,1-2H3;3-5H,1-2H3;3-6H,1-2H3.

What are the key properties of 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide?

2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 2296.56 g/mol, XLogP of 37.94, 25 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-fluoro-5-propan-2-ylpyridine;1-(difluoromethoxy)-4-propan-2-ylbenzene;1-(difluoromethyl)-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-ylbenzonitrile;4-propan-2-ylphenol;N-(4-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 163580306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).