3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene

C219H301BrClF10N23O8 — CID 158823547

IUPAC3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene
SMILESCC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1cnc(C(F)(F)F)cn1.CC(C)(C)c1cnc(C(F)(F)F)nc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(=O)c(C(C)(C)C)c[nH]1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)c2ccccc12.Cc1ncc(C(C)(C)C)cc1O
InChIInChI=1S/C14H17N.C12H13N.C11H17NO.C11H17N.2C11H16O.C10H12N2.4C10H15NO.3C10H15N.2C9H11F3N2.C9H9F3.C9H14N2.C9H13NO.C8H10BrN.C8H10ClN.C8H10FN/c1-10-11-7-5-6-8-12(11)13(9-15-10)14(2,3)4;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-5-13-10-7-6-9(8-12-10)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7-9(12)5-8(6-11-7)10(2,3)4;1-7-5-9(12)8(6-11-7)10(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11(8)12)10(2,3)4;2*1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8(2,3)6-4-14-7(5-13-6)9(10,11)12;1-8(2,3)6-4-13-7(14-5-6)9(10,11)12;1-5(2)9-7(11)3-6(10)4-8(9)12;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-8(11)10-6-7;3*1-6(2)7-3-8(9)5-10-4-7/h5-9H,1-4H3;3-9H,1-2H3;6-8H,5H2,1-4H3;6-7H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3,(H,11,12);5-6,12H,1-4H3;5-6H,1-4H3,(H,11,12);2*5-7H,1-4H3;3*5-7H,1-4H3;2*4-5H,1-3H3;3-5H,1-2H3;5-6H,1-4H3;4-6H,1-3H3,(H,10,11);3*3-6H,1-2H3
InChIKeyIWEAPNBBOFNHTE-UHFFFAOYSA-N
MW3689.31 g/mol
LogP59.40
Rot. Bonds13

About 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene

3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene (PubChem CID 158823547) has the molecular formula C219H301BrClF10N23O8 and a molecular weight of 3689.31 g/mol. Its IUPAC name is 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene
PubChem CID158823547
Molecular FormulaC219H301BrClF10N23O8
Molecular Weight3689.31 g/mol
Exact Mass3685.26
IUPAC Name3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene
SMILESCC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1cnc(C(F)(F)F)cn1.CC(C)(C)c1cnc(C(F)(F)F)nc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(=O)c(C(C)(C)C)c[nH]1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)c2ccccc12.Cc1ncc(C(C)(C)C)cc1O
InChIInChI=1S/C14H17N.C12H13N.C11H17NO.C11H17N.2C11H16O.C10H12N2.4C10H15NO.3C10H15N.2C9H11F3N2.C9H9F3.C9H14N2.C9H13NO.C8H10BrN.C8H10ClN.C8H10FN/c1-10-11-7-5-6-8-12(11)13(9-15-10)14(2,3)4;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-5-13-10-7-6-9(8-12-10)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7-9(12)5-8(6-11-7)10(2,3)4;1-7-5-9(12)8(6-11-7)10(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11(8)12)10(2,3)4;2*1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8(2,3)6-4-14-7(5-13-6)9(10,11)12;1-8(2,3)6-4-13-7(14-5-6)9(10,11)12;1-5(2)9-7(11)3-6(10)4-8(9)12;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-8(11)10-6-7;3*1-6(2)7-3-8(9)5-10-4-7/h5-9H,1-4H3;3-9H,1-2H3;6-8H,5H2,1-4H3;6-7H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3,(H,11,12);5-6,12H,1-4H3;5-6H,1-4H3,(H,11,12);2*5-7H,1-4H3;3*5-7H,1-4H3;2*4-5H,1-3H3;3-5H,1-2H3;5-6H,1-4H3;4-6H,1-3H3,(H,10,11);3*3-6H,1-2H3
InChIKeyIWEAPNBBOFNHTE-UHFFFAOYSA-N
XLogP59.40
TPSA410.51 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds13
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003689.31
LogP ≤ 559.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
The IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene (CID 158823547) is 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
The canonical SMILES for 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene is CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1cnc(C(F)(F)F)cn1.CC(C)(C)c1cnc(C(F)(F)F)nc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CCOc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)(C)C)cn1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1C.Cc1cc(=O)c(C(C)(C)C)c[nH]1.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)c1.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)c2ccccc12.Cc1ncc(C(C)(C)C)cc1O.
What is the InChIKey of 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
The InChIKey is IWEAPNBBOFNHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C12H13N.C11H17NO.C11H17N.2C11H16O.C10H12N2.4C10H15NO.3C10H15N.2C9H11F3N2.C9H9F3.C9H14N2.C9H13NO.C8H10BrN.C8H10ClN.C8H10FN/c1-10-11-7-5-6-8-12(11)13(9-15-10)14(2,3)4;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-5-13-10-7-6-9(8-12-10)11(2,3)4;1-8-6-7-10(9(2)12-8)11(3,4)5;2*1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7-9(12)5-8(6-11-7)10(2,3)4;1-7-5-9(12)8(6-11-7)10(2,3)4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-9(7-11(8)12)10(2,3)4;2*1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8(2,3)6-4-14-7(5-13-6)9(10,11)12;1-8(2,3)6-4-13-7(14-5-6)9(10,11)12;1-5(2)9-7(11)3-6(10)4-8(9)12;1-7-5-11-8(6-10-7)9(2,3)4;1-9(2,3)7-4-5-8(11)10-6-7;3*1-6(2)7-3-8(9)5-10-4-7/h5-9H,1-4H3;3-9H,1-2H3;6-8H,5H2,1-4H3;6-7H,1-5H3;2*5-8H,1-4H3;3-7H,1-2H3,(H,11,12);5-6,12H,1-4H3;5-6H,1-4H3,(H,11,12);2*5-7H,1-4H3;3*5-7H,1-4H3;2*4-5H,1-3H3;3-5H,1-2H3;5-6H,1-4H3;4-6H,1-3H3,(H,10,11);3*3-6H,1-2H3.
What are the key properties of 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene?
3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene has a molecular weight of 3689.31 g/mol, XLogP of 59.40, 13 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-ylpyridine;3-tert-butyl-2,6-dimethylpyridine;5-tert-butyl-2-ethoxypyridine;5-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methylisoquinoline;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-5-methylpyrazine;3-tert-butyl-4-methylpyridine;bis(3-tert-butyl-5-methylpyridine);5-tert-butyl-2-methylpyridin-3-ol;5-tert-butyl-2-methyl-1H-pyridin-4-one;5-tert-butyl-1H-pyridin-2-one;2-tert-butyl-5-(trifluoromethyl)pyrazine;5-tert-butyl-2-(trifluoromethyl)pyrimidine;3-chloro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);4-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;1,3,5-trifluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 158823547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).