2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane

C177H248ClF14N23O2S — CID 162002091

About 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane

2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane (PubChem CID 162002091) has the molecular formula C177H248ClF14N23O2S and a molecular weight of 3063.58 g/mol. Its IUPAC name is 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane.

Molecular Properties

• Compound Name: 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
• PubChem CID: 162002091
• Molecular Formula: C177H248ClF14N23O2S
• Molecular Weight: 3063.58 g/mol
• Exact Mass: 3060.92
• IUPAC Name: 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane
• SMILES: C.C.C.CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ncc(F)cc1F.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(O)c1cccnc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1
• InChI: InChI=1S/C13H15N.C12H14N2.C11H17NO.C11H15NO.3C10H12F3N.2C10H15N.C9H12ClN.C9H11F2N.2C9H12FN.2C9H14N2.C8H11FN2.C8H12N2.C7H11NS.3CH4/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;2*1-8(13)9-6-5-7-12-10(9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-7(11)4-6(10)5-12-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;2*1-7-5-10-8(11-6-7)9(2,3)4;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-6;;;/h4-9H,1-3H3;4-8H,1-3H3;5-8,13H,1-4H3;5-7H,1-4H3;3*4-6H,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;2*5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3*1H4
• InChIKey: YSISFFBTGACKFX-UHFFFAOYSA-N
• XLogP: 49.97
• TPSA: 333.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 2
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3063.58
LogP ≤ 5	49.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

The IUPAC name of 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane (CID 162002091) is 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane.

What is the SMILES notation for 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

The canonical SMILES for 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane is C.C.C.CC(=O)c1cccnc1C(C)(C)C.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cc(Cl)ccn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ncc(F)cc1F.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(O)c1cccnc1C(C)(C)C.Cc1ccc(C(C)(C)C)nc1.Cc1cccnc1C(C)(C)C.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.

What is the InChIKey of 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

The InChIKey is YSISFFBTGACKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C12H14N2.C11H17NO.C11H15NO.3C10H12F3N.2C10H15N.C9H12ClN.C9H11F2N.2C9H12FN.2C9H14N2.C8H11FN2.C8H12N2.C7H11NS.3CH4/c1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;2*1-8(13)9-6-5-7-12-10(9)11(2,3)4;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-9(2,3)8-6-7(10)4-5-11-8;1-9(2,3)8-7(11)4-6(10)5-12-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;2*1-7-5-10-8(11-6-7)9(2,3)4;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7;1-7(2,3)6-8-4-5-9-6;;;/h4-9H,1-3H3;4-8H,1-3H3;5-8,13H,1-4H3;5-7H,1-4H3;3*4-6H,1-3H3;2*5-7H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3;2*5-6H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;3*1H4.

What are the key properties of 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane?

2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane has a molecular weight of 3063.58 g/mol, XLogP of 49.97, 2 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-chloropyridine;2-tert-butyl-3,5-difluoropyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butylisoquinoline;2-tert-butyl-3-methylpyridine;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);1-(2-tert-butyl-3-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;2-tert-butylpyrimidine;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-5-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 162002091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).