2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine

C187H254ClF3N26O8 — CID 157432073

About 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine

2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 157432073) has the molecular formula C187H254ClF3N26O8 and a molecular weight of 3086.71 g/mol. Its IUPAC name is 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 157432073
• Molecular Formula: C187H254ClF3N26O8
• Molecular Weight: 3086.71 g/mol
• Exact Mass: 3083.99
• IUPAC Name: 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1
• InChI: InChI=1S/C11H16.2C10H12N2.3C10H13NO2.C10H15NO.3C10H15N.C9H12ClN.C9H10F3N.2C9H10N2.2C9H13N.3C8H12N2.C8H11NO/c1-9-7-5-6-8-10(9)11(2,3)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-4-5-10-8(3)6-9;1-9(2,3)8-6-4-5-7-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)7-4-3-5-8(10)9-7/h5-8H,1-4H3;2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;2*3-5,7H,1-2H3;2*4-7H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-6H,1-2H3,(H,9,10)
• InChIKey: BQQUMOLZQCTIMS-UHFFFAOYSA-N
• XLogP: 47.25
• TPSA: 510.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3086.71
LogP ≤ 5	47.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 157432073) is 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(Cl)n1.CC(C)(C)c1ccccn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(N)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(N)c1.COC(=O)c1cc(C(C)C)ccn1.COC(=O)c1ccc(C(C)C)nc1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)(C)C)n1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1.

What is the InChIKey of 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is BQQUMOLZQCTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.2C10H12N2.3C10H13NO2.C10H15NO.3C10H15N.C9H12ClN.C9H10F3N.2C9H10N2.2C9H13N.3C8H12N2.C8H11NO/c1-9-7-5-6-8-10(9)11(2,3)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-4-8(6-11-9)10(12)13-3;1-7(2)8-4-5-11-9(6-8)10(12)13-3;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-10(2,3)8-6-5-7-9(11-8)12-4;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-8(10)11-7;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-4-5-10-8(3)6-9;1-9(2,3)8-6-4-5-7-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-4-3-5-8(9)10-7;1-6(2)7-4-3-5-8(10)9-7/h5-8H,1-4H3;2*3-7H,1-2H3,(H,11,12);3*4-7H,1-3H3;5-7H,1-4H3;3*5-7H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;2*3-5,7H,1-2H3;2*4-7H,1-3H3;3-6H,9H2,1-2H3;2*3-6H,1-2H3,(H2,9,10);3-6H,1-2H3,(H,9,10).

What are the key properties of 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine?

2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3086.71 g/mol, XLogP of 47.25, 17 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-chloropyridine;2-tert-butyl-6-methoxypyridine;1-tert-butyl-2-methylbenzene;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;2-methyl-4-propan-2-ylpyridine;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-2-carboxylate;methyl 6-propan-2-ylpyridine-3-carboxylate;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;4-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;4-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-2-carbonitrile;6-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 157432073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).