5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine

C138H189BrClF4N21O5 — CID 160529354

IUPAC5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)c1ccc(Br)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccccn1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C9H12ClN.C9H10F3N.C9H10N2.C9H13NO.C9H13N.C8H10BrN.C8H10FN.C8H12N2.C8H11N/c1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-9(2,3)8-5-4-7(10)6-11-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)6-10-9;3*1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3
InChIKeyQVIDQGMZOHMTBO-UHFFFAOYSA-N
MW2413.52 g/mol
LogP34.88
Rot. Bonds21

About 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine

5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 160529354) has the molecular formula C138H189BrClF4N21O5 and a molecular weight of 2413.52 g/mol. Its IUPAC name is 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID160529354
Molecular FormulaC138H189BrClF4N21O5
Molecular Weight2413.52 g/mol
Exact Mass2410.40
IUPAC Name5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)c1ccc(Br)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccccn1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.[C-]#[N+]c1ccc(C(C)C)nc1
InChIInChI=1S/C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C9H12ClN.C9H10F3N.C9H10N2.C9H13NO.C9H13N.C8H10BrN.C8H10FN.C8H12N2.C8H11N/c1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-9(2,3)8-5-4-7(10)6-11-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)6-10-9;3*1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3
InChIKeyQVIDQGMZOHMTBO-UHFFFAOYSA-N
XLogP34.88
TPSA290.56 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.52
LogP ≤ 534.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 160529354) is 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(=O)c1ccc(C(C)C)nc1.CC(C)(C)c1ccc(Cl)cn1.CC(C)c1ccc(Br)cn1.CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N(C)C)cn1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N2CCOCC2)cn1.CC(C)c1ccccn1.COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(C)n1-c1ccc(C(C)C)nc1.[C-]#[N+]c1ccc(C(C)C)nc1.
What is the InChIKey of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is QVIDQGMZOHMTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.C14H18N2.C12H18N2O.C10H16N2.C10H13NO.C9H12ClN.C9H10F3N.C9H10N2.C9H13NO.C9H13N.C8H10BrN.C8H10FN.C8H12N2.C8H11N/c1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3;1-10(2)14-8-7-13(9-15-14)16-11(3)5-6-12(16)4;1-10(2)12-4-3-11(9-13-12)14-5-7-15-8-6-14;1-8(2)10-6-5-9(7-11-10)12(3)4;1-7(2)10-5-4-9(6-11-10)8(3)12;1-9(2,3)8-5-4-7(10)6-11-8;1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-7(2)9-5-4-8(10-3)6-11-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)9-5-4-8(3)6-10-9;3*1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8/h4-5,10,12H,6-9,11H2,1-3H3;5-10H,1-4H3;3-4,9-10H,5-8H2,1-2H3;5-8H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;3-6H,1-2H3;4-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3.
What are the key properties of 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine?
5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 2413.52 g/mol, XLogP of 34.88, 21 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-ylpyridine;2-tert-butyl-5-chloropyridine;N,N-dimethyl-6-propan-2-ylpyridin-3-amine;5-(2,5-dimethylpyrrol-1-yl)-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;5-isocyano-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 160529354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).