3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol

C174H255BrClN15O11S — CID 160689576

IUPAC3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol
SMILESCC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.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
InChIInChI=1S/C11H16N2O.C11H17NO2S.C11H17NO.3C11H16O.C11H16.C10H14N2O.2C10H15NO.4C10H15N.C9H11BrClN.C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;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;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;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;3*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)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(11)6-10-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-6H,1-3H3,(H2,11,13);2*5-7H,1-4H3;4*5-7H,1-4H3;4-5H,1-3H3;4-6,11H,1-3H3;4-7H,1-3H3
InChIKeyRPFQOULYDXKMPL-UHFFFAOYSA-N
MW2880.47 g/mol
LogP43.46
Rot. Bonds11

About 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol

3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol (PubChem CID 160689576) has the molecular formula C174H255BrClN15O11S and a molecular weight of 2880.47 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol
PubChem CID160689576
Molecular FormulaC174H255BrClN15O11S
Molecular Weight2880.47 g/mol
Exact Mass2876.84
IUPAC Name3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol
SMILESCC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.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
InChIInChI=1S/C11H16N2O.C11H17NO2S.C11H17NO.3C11H16O.C11H16.C10H14N2O.2C10H15NO.4C10H15N.C9H11BrClN.C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;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;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;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;3*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)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(11)6-10-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-6H,1-3H3,(H2,11,13);2*5-7H,1-4H3;4*5-7H,1-4H3;4-5H,1-3H3;4-6,11H,1-3H3;4-7H,1-3H3
InChIKeyRPFQOULYDXKMPL-UHFFFAOYSA-N
XLogP43.46
TPSA360.51 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms203
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.47
LogP ≤ 543.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol?
The IUPAC name of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol (CID 160689576) is 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol.
What is the SMILES notation for 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol?
The canonical SMILES for 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol is CC(C)(C)c1ccc(C(N)=O)cn1.CC(C)(C)c1ccc(CS(C)(=O)=O)cn1.CC(C)(C)c1ccc(O)cn1.CC(C)(C)c1ccccc1CO.CC(C)(C)c1ccccn1.CC(C)(C)c1cnc(Cl)c(Br)c1.CCOc1ccc(C(C)(C)C)nc1.CNC(=O)c1ccc(C(C)(C)C)nc1.COc1ccc(C(C)(C)C)cn1.COc1cccc(C(C)(C)C)c1.COc1ccccc1C(C)(C)C.COc1ccnc(C(C)(C)C)c1.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.
What is the InChIKey of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol?
The InChIKey is RPFQOULYDXKMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H17NO2S.C11H17NO.3C11H16O.C11H16.C10H14N2O.2C10H15NO.4C10H15N.C9H11BrClN.C9H13NO.C9H13N/c1-11(2,3)9-6-5-8(7-13-9)10(14)12-4;1-11(2,3)10-6-5-9(7-12-10)8-15(4,13)14;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;1-11(2,3)10-7-5-4-6-9(10)8-12;1-9-6-5-7-10(8-9)11(2,3)4;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;3*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)6-4-7(10)8(11)12-5-6;1-9(2,3)8-5-4-7(11)6-10-8;1-9(2,3)8-6-4-5-7-10-8/h5-7H,1-4H3,(H,12,14);5-7H,8H2,1-4H3;6-8H,5H2,1-4H3;2*5-8H,1-4H3;4-7,12H,8H2,1-3H3;5-8H,1-4H3;4-6H,1-3H3,(H2,11,13);2*5-7H,1-4H3;4*5-7H,1-4H3;4-5H,1-3H3;4-6,11H,1-3H3;4-7H,1-3H3.
What are the key properties of 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol?
3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol has a molecular weight of 2880.47 g/mol, XLogP of 43.46, 11 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-2-chloropyridine;2-tert-butyl-5-ethoxypyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-4-methoxypyridine;5-tert-butyl-2-methoxypyridine;1-tert-butyl-3-methylbenzene;tris(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;6-tert-butyl-N-methylpyridine-3-carboxamide;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;(2-tert-butylphenyl)methanol;2-tert-butylpyridine;6-tert-butylpyridine-3-carboxamide;6-tert-butylpyridin-3-ol is sourced from PubChem (CID 160689576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).