5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid

C223H328BrClN22O12S — CID 159947482

About 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid

5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid (PubChem CID 159947482) has the molecular formula C223H328BrClN22O12S and a molecular weight of 3656.64 g/mol. Its IUPAC name is 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid.

Molecular Properties

• Compound Name: 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
• PubChem CID: 159947482
• Molecular Formula: C223H328BrClN22O12S
• Molecular Weight: 3656.64 g/mol
• Exact Mass: 3652.43
• IUPAC Name: 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid
• SMILES: CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(OCC(=O)O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnccc1CO.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ncccc1C(C)(C)C
• InChI: InChI=1S/C11H16N2O.C11H15NO3.C11H17NO2S.C11H16O.C11H16.C10H14ClN.C10H14N2O.4C10H15NO.9C10H15N.C9H12BrN.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)9-5-4-8(6-12-9)15-7-10(13)14;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;6*1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;2*1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);4-6H,7H2,1-3H3,(H,13,14);5-7H,8H2,1-4H3;5-8H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;4-6H,1-3H3,(H2,11,13);3*5-7H,1-4H3;4-6,12H,7H2,1-3H3;9*5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3
• InChIKey: OBRCQVCJDMGGCL-UHFFFAOYSA-N
• XLogP: 55.35
• TPSA: 467.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3656.64
LogP ≤ 5	55.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?

The IUPAC name of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid (CID 159947482) is 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid.

What is the SMILES notation for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?

The canonical SMILES for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid is CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(OCC(=O)O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cnccc1CO.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1cccc(C(C)(C)C)n1.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1ncccc1C(C)(C)C.

What is the InChIKey of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?

The InChIKey is OBRCQVCJDMGGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H15NO3.C11H17NO2S.C11H16O.C11H16.C10H14ClN.C10H14N2O.4C10H15NO.9C10H15N.C9H12BrN.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)9-5-4-8(6-12-9)15-7-10(13)14;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)12-4;1-9-6-5-7-10(8-9)11(2,3)4;1-7-5-8(10(2,3)4)6-12-9(7)11;1-10(2,3)8-5-4-7(6-12-8)9(11)13;1-10(2,3)9-7-8(12-4)5-6-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)9-6-11-5-4-8(9)7-12;6*1-8-5-6-9(11-7-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;2*1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);4-6H,7H2,1-3H3,(H,13,14);5-7H,8H2,1-4H3;5-8H,1-4H3;5-8H,1-4H3;5-6H,1-4H3;4-6H,1-3H3,(H2,11,13);3*5-7H,1-4H3;4-6,12H,7H2,1-3H3;9*5-7H,1-4H3;4-6H,1-3H3;4-7H,1-3H3.

What are the key properties of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid?

5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid has a molecular weight of 3656.64 g/mol, XLogP of 55.35, 12 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-6-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;hexakis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);3-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;2-[(6-tert-butyl-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 159947482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).