4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene

C232H336Br4F8N21O6S+ — CID 159365084

IUPAC4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.CC(C)C(O)c1ccccc1.CC(C)CCC1CO1.CC(C)CN1CCOCC1.CC(C)C[n+]1cccnc1.CC(C)Cc1cc(Br)ccn1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)c1ccc(Br)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Br)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(Br)c1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc(C(O)C(C)C)cc1.Cc1ccc(C(O)C(C)C)cc1
InChIInChI=1S/C11H13F3.2C11H16O.C10H11F3.C10H13F.C10H14O.C10H14.C9H12BrN.C9H11F.3C9H13N.C9H12.3C8H10BrN.C8H13N2.C8H17NO.3C8H11N.C7H12N2.C7H10N2.C7H14O.C6H10N2.C6H9NO.C6H9NS.2CH4/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;2*1-8(2)11(12)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)10(11)9-6-4-3-5-7-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)8-3-5-9(10)6-4-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-8(9)10-7;1-8(2)6-10-5-3-4-9-7-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)3-4-7-5-8-7;3*1-5(2)6-7-3-4-8-6;;/h3-6,8H,7H2,1-2H3;2*4-8,11-12H,1-3H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-8,10-11H,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3*3-6H,1-2H3;3-5,7-8H,6H2,1-2H3;8H,3-7H2,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*1H4/q;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;
InChIKeyOPXGZPYCNFOGBV-UHFFFAOYSA-N
MW4019.05 g/mol
LogP66.38
Rot. Bonds41

About 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene

4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159365084) has the molecular formula C232H336Br4F8N21O6S+ and a molecular weight of 4019.05 g/mol. Its IUPAC name is 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159365084
Molecular FormulaC232H336Br4F8N21O6S+
Molecular Weight4019.05 g/mol
Exact Mass4012.30
IUPAC Name4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.C.CC(C)C(O)c1ccccc1.CC(C)CCC1CO1.CC(C)CN1CCOCC1.CC(C)C[n+]1cccnc1.CC(C)Cc1cc(Br)ccn1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)c1ccc(Br)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Br)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(Br)c1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc(C(O)C(C)C)cc1.Cc1ccc(C(O)C(C)C)cc1
InChIInChI=1S/C11H13F3.2C11H16O.C10H11F3.C10H13F.C10H14O.C10H14.C9H12BrN.C9H11F.3C9H13N.C9H12.3C8H10BrN.C8H13N2.C8H17NO.3C8H11N.C7H12N2.C7H10N2.C7H14O.C6H10N2.C6H9NO.C6H9NS.2CH4/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;2*1-8(2)11(12)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)10(11)9-6-4-3-5-7-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)8-3-5-9(10)6-4-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-8(9)10-7;1-8(2)6-10-5-3-4-9-7-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)3-4-7-5-8-7;3*1-5(2)6-7-3-4-8-6;;/h3-6,8H,7H2,1-2H3;2*4-8,11-12H,1-3H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-8,10-11H,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3*3-6H,1-2H3;3-5,7-8H,6H2,1-2H3;8H,3-7H2,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*1H4/q;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;
InChIKeyOPXGZPYCNFOGBV-UHFFFAOYSA-N
XLogP66.38
TPSA342.56 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds41
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004019.05
LogP ≤ 566.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

cumene;2-(difluoromethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;4-(2-propan-2-yloxyethyl)morpholine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);4-propan-2-ylpyrimidine;2-(trifluoromethoxy)propane
CID 160905418
2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 161997416
cumene;2-(1,1-difluoroethoxy)propane;2,2-difluoro-1-propan-2-yloxypropane;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-ethoxypropane;2-(1-fluoroethoxy)propane;2-fluoro-1-propan-2-yloxypropane;2-methoxypropane;tris(2-methylpropane);2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-2-propan-2-ylpyrrole;1-(2-propan-2-yloxyethyl)piperidine;bis(propan-2-yloxymethylbenzene);bis(2-(propan-2-yloxymethyl)pyridine);2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);4-propan-2-ylpyrimidine
CID 162119836
2-bromo-4-(2-methylpropyl)pyridine;2-bromo-5-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 157715953
2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;2-methyl-5-(2-methylpropyl)pyridine;1-methyl-2-propan-2-ylimidazole;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 160141968
2-bromo-4-(2-methylpropyl)pyridine;4-bromo-2-(2-methylpropyl)pyridine;5-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 162058836

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159365084) is 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene is C.C.CC(C)C(O)c1ccccc1.CC(C)CCC1CO1.CC(C)CN1CCOCC1.CC(C)C[n+]1cccnc1.CC(C)Cc1cc(Br)ccn1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)c1ccc(Br)nc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Br)n1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc(Br)c1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC(C)c1ncco1.CC(C)c1nccs1.Cc1ccc(C(O)C(C)C)cc1.Cc1ccc(C(O)C(C)C)cc1.
What is the InChIKey of 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is OPXGZPYCNFOGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3.2C11H16O.C10H11F3.C10H13F.C10H14O.C10H14.C9H12BrN.C9H11F.3C9H13N.C9H12.3C8H10BrN.C8H13N2.C8H17NO.3C8H11N.C7H12N2.C7H10N2.C7H14O.C6H10N2.C6H9NO.C6H9NS.2CH4/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;2*1-8(2)11(12)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)10(11)9-6-4-3-5-7-9;1-9(2)8-10-6-4-3-5-7-10;1-7(2)5-9-6-8(10)3-4-11-9;1-7(2)8-3-5-9(10)6-4-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-4-3-5-8(9)10-7;1-8(2)6-10-5-3-4-9-7-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-5-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)3-4-7-5-8-7;3*1-5(2)6-7-3-4-8-6;;/h3-6,8H,7H2,1-2H3;2*4-8,11-12H,1-3H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-8,10-11H,1-2H3;3-7,9H,8H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-7H,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;3*3-6H,1-2H3;3-5,7-8H,6H2,1-2H3;8H,3-7H2,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;2*1H4/q;;;;;;;;;;;;;;;;+1;;;;;;;;;;;;.
What are the key properties of 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene?
4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 4019.05 g/mol, XLogP of 66.38, 41 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylpropyl)pyridine;2-bromo-4-propan-2-ylpyridine;2-bromo-5-propan-2-ylpyridine;2-bromo-6-propan-2-ylpyridine;cumene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-propan-2-ylbenzene;methane;2-(3-methylbutyl)oxirane;bis(2-methyl-1-(4-methylphenyl)propan-1-ol);2-methyl-1-phenylpropan-1-ol;1-methyl-2-propan-2-ylimidazole;2-methylpropylbenzene;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-(2-methylpropyl)pyrimidin-1-ium;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159365084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).