2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole

C175H260ClF6N27O2 — CID 158924345

IUPAC2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccnc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1CCO.CC(C)c1cccnc1CO.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CCc1ncccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1nccnc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1nnccc1C(C)C
InChIInChI=1S/C11H17N.C10H15NO.3C10H15N.2C9H10F3N.C9H16N2.C9H13NO.3C9H13N.C8H10ClN.C8H14N2.2C8H12N2.C8H14N2.C8H11N.C7H12N2.C6H10N2/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)9-4-3-6-11-10(9)5-7-12;1-7(2)10-8(3)5-6-11-9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)9-7(3)10-11(5)8(9)4;1-7(2)8-4-3-5-10-9(8)6-11;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)6-3-7-8-4-6/h5-9H,1-4H3;3-4,6,8,12H,5,7H2,1-2H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;2*3-6H,1-2H3;6H,1-5H3;3-5,7,11H,6H2,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,1-4H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3,(H,7,8)
InChIKeyJIFWDJSQMLJOTA-UHFFFAOYSA-N
MW2923.63 g/mol
LogP47.28
Rot. Bonds25

About 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole

2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 158924345) has the molecular formula C175H260ClF6N27O2 and a molecular weight of 2923.63 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID158924345
Molecular FormulaC175H260ClF6N27O2
Molecular Weight2923.63 g/mol
Exact Mass2921.07
IUPAC Name2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccnc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1CCO.CC(C)c1cccnc1CO.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CCc1ncccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1nccnc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1nnccc1C(C)C
InChIInChI=1S/C11H17N.C10H15NO.3C10H15N.2C9H10F3N.C9H16N2.C9H13NO.3C9H13N.C8H10ClN.C8H14N2.2C8H12N2.C8H14N2.C8H11N.C7H12N2.C6H10N2/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)9-4-3-6-11-10(9)5-7-12;1-7(2)10-8(3)5-6-11-9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)9-7(3)10-11(5)8(9)4;1-7(2)8-4-3-5-10-9(8)6-11;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)6-3-7-8-4-6/h5-9H,1-4H3;3-4,6,8,12H,5,7H2,1-2H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;2*3-6H,1-2H3;6H,1-5H3;3-5,7,11H,6H2,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,1-4H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3,(H,7,8)
InChIKeyJIFWDJSQMLJOTA-UHFFFAOYSA-N
XLogP47.28
TPSA370.41 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002923.63
LogP ≤ 547.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

CID 157310252
CID 157310252
2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;bis(1,3-dimethyl-5-propan-2-ylpyrazole);1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-(1,3-dimethyl-4-propan-2-ylpyrazol-5-yl)ethanol;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;1-methyl-5-propan-2-ylimidazole;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;4-methyl-3-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1H-pyrazole;2-(4-propan-2-ylpyrazol-1-yl)ethanol;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 157354729
2-Chloro-5-propan-2-ylpyridine;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;methane;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160698876
1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;2-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 159256318
3-[2-(azetidin-1-yl)ethyl]-2-tert-butyl-5-methylpyridine;5-tert-butyl-2-chloro-3-methylpyridine;2-tert-butyl-5-chloro-3-(1H-pyrazol-5-yl)pyridine;1-[4-(2-tert-butyl-5-chloro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;(4R)-1-(2-tert-butyl-5-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one;2-tert-butyl-5-methyl-3-[2-[(3S)-3-methylpyrrolidin-1-yl]ethyl]pyridine;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-5-methyl-3-pyridin-3-ylpyridine;2-tert-butyl-5-methyl-3-pyridin-4-ylpyridine;2-tert-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)pyridine;(3-tert-butyl-2-pyridinyl)methanol
CID 160008843

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 158924345) is 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccnc1.CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1CCO.CC(C)c1cccnc1CO.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CCc1ncccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1ncccc1C(C)C.Cc1nccnc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1nnccc1C(C)C.
What is the InChIKey of 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is JIFWDJSQMLJOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H15NO.3C10H15N.2C9H10F3N.C9H16N2.C9H13NO.3C9H13N.C8H10ClN.C8H14N2.2C8H12N2.C8H14N2.C8H11N.C7H12N2.C6H10N2/c1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)9-4-3-6-11-10(9)5-7-12;1-7(2)10-8(3)5-6-11-9(10)4;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)9-7(3)10-11(5)8(9)4;1-7(2)8-4-3-5-10-9(8)6-11;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-6-10-8(9)3;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-5(2)6-3-7-8-4-6/h5-9H,1-4H3;3-4,6,8,12H,5,7H2,1-2H3;2*5-7H,1-4H3;5-8H,4H2,1-3H3;2*3-6H,1-2H3;6H,1-5H3;3-5,7,11H,6H2,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3;5-6H,1-4H3;2*4-6H,1-3H3;5H,1-4H3,(H,9,10);3-7H,1-2H3;4-6H,1-3H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole?
2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 2923.63 g/mol, XLogP of 47.28, 25 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylpyridine;1,3-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2,4-dimethyl-3-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;2,3-di(propan-2-yl)pyridine;2-ethyl-3-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyrazine;1-methyl-4-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridazine;2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;4-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-(3-propan-2-yl-2-pyridinyl)ethanol;(3-propan-2-yl-2-pyridinyl)methanol;3-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 158924345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).