5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane

C200H317BrClN19O9 — CID 158813191

About 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane

5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane (PubChem CID 158813191) has the molecular formula C200H317BrClN19O9 and a molecular weight of 3247.22 g/mol. Its IUPAC name is 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane.

Molecular Properties

• Compound Name: 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane
• PubChem CID: 158813191
• Molecular Formula: C200H317BrClN19O9
• Molecular Weight: 3247.22 g/mol
• Exact Mass: 3243.38
• IUPAC Name: 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane
• SMILES: C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccc1CO.CC(C)(C)c1ncccc1N.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1
• InChI: InChI=1S/C11H16N2O.C11H17NO.2C11H16O.C11H16.C10H14ClN.C10H14N2O.4C10H15NO.4C10H15N.C9H12BrN.C9H14N2.2C9H13N.9CH4/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(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)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-7-9(5-6-11-8)10(2,3)4;2*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)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;/h5-7H,1-4H3,(H,12,14);6-8H,5H2,1-4H3;2*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;4*5-7H,1-4H3;4-6H,1-3H3;4-6H,10H2,1-3H3;2*4-7H,1-3H3;9*1H4
• InChIKey: IUYBYZJJIWYOJU-UHFFFAOYSA-N
• XLogP: 53.98
• TPSA: 380.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3247.22
LogP ≤ 5	53.98
H-Bond Donors ≤ 5	4
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 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane?

The IUPAC name of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane (CID 158813191) is 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane.

What is the SMILES notation for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane?

The canonical SMILES for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane is C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(Br)cn1.CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccc1CO.CC(C)(C)c1ncccc1N.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)nc1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ccn1.Cc1cc(C(C)(C)C)cnc1Cl.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)n1.

What is the InChIKey of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane?

The InChIKey is IUYBYZJJIWYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H17NO.2C11H16O.C11H16.C10H14ClN.C10H14N2O.4C10H15NO.4C10H15N.C9H12BrN.C9H14N2.2C9H13N.9CH4/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-5-13-9-6-7-10(12-8-9)11(2,3)4;1-11(2,3)9-6-5-7-10(8-9)12-4;1-11(2,3)9-7-5-6-8-10(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)9-6-5-8(12-4)7-11-9;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)9-6-11-5-4-8(9)7-12;1-8-7-9(5-6-11-8)10(2,3)4;2*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)8-5-4-7(10)6-11-8;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;;;;;;;;;/h5-7H,1-4H3,(H,12,14);6-8H,5H2,1-4H3;2*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;4*5-7H,1-4H3;4-6H,1-3H3;4-6H,10H2,1-3H3;2*4-7H,1-3H3;9*1H4.

What are the key properties of 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane?

5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane has a molecular weight of 3247.22 g/mol, XLogP of 53.98, 10 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-tert-butylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;2-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butylpyridin-3-amine;2-tert-butylpyridine;4-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;(3-tert-butyl-4-pyridinyl)methanol;methane is sourced from PubChem (CID 158813191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).