3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

C195H274Cl3F3N24O9S — CID 162097055

IUPAC3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc(=O)[nH]1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CC(C)c1nccs1.CCOC(=O)C1C=CC(C(C)C)=NC1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)C)c1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(Cl)cnc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)c(Cl)c1
InChIInChI=1S/C12H13N.C11H17NO2.C10H15NO.C10H15N.2C9H12ClN.4C9H13NO.5C9H13N.C8H10ClN.C8H9F3N2.C8H12N2.C8H11NO.C8H12O.C7H10N2.C6H9NS/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-7(2)10-6-8(3)5-9(4)11-10;1-6(2)9-7(3)4-8(10)5-11-9;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-6-8(11-3)4-5-10-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)10-6-9;2*1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-8(9)10-5-7;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3;5-6,8-9H,4,7H2,1-3H3;4-8,12H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3;4*4-7H,1-3H3;5*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyZEJTVHKDXPWMKZ-UHFFFAOYSA-N
MW3293.92 g/mol
LogP53.49
Rot. Bonds29

About 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 162097055) has the molecular formula C195H274Cl3F3N24O9S and a molecular weight of 3293.92 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
PubChem CID162097055
Molecular FormulaC195H274Cl3F3N24O9S
Molecular Weight3293.92 g/mol
Exact Mass3290.05
IUPAC Name3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc(=O)[nH]1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CC(C)c1nccs1.CCOC(=O)C1C=CC(C(C)C)=NC1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)C)c1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(Cl)cnc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)c(Cl)c1
InChIInChI=1S/C12H13N.C11H17NO2.C10H15NO.C10H15N.2C9H12ClN.4C9H13NO.5C9H13N.C8H10ClN.C8H9F3N2.C8H12N2.C8H11NO.C8H12O.C7H10N2.C6H9NS/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-7(2)10-6-8(3)5-9(4)11-10;1-6(2)9-7(3)4-8(10)5-11-9;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-6-8(11-3)4-5-10-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)10-6-9;2*1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-8(9)10-5-7;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3;5-6,8-9H,4,7H2,1-3H3;4-8,12H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3;4*4-7H,1-3H3;5*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyZEJTVHKDXPWMKZ-UHFFFAOYSA-N
XLogP53.49
TPSA425.39 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003293.92
LogP ≤ 553.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butyl-6-(trifluoromethyl)pyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-tert-butylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 159158588
1-(6-tert-butyl-3-pyridinyl)ethanol;2-tert-butylpyrimidine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 159724005
2-Tert-butyl-5-chloropyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyridine;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine);2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 159739834
Ethyl 6-propan-2-ylpyridine-3-carboxylate;2-methyl-5-propan-2-ylfuran;4-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 160392476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (CID 162097055) is 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is CC(C)c1ccc(C(C)O)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc(=O)[nH]1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CC(C)c1nccs1.CCOC(=O)C1C=CC(C(C)C)=NC1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.COc1cccc(C(C)C)n1.COc1ccnc(C(C)C)c1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(Cl)cnc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1cnc(C(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is ZEJTVHKDXPWMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H17NO2.C10H15NO.C10H15N.2C9H12ClN.4C9H13NO.5C9H13N.C8H10ClN.C8H9F3N2.C8H12N2.C8H11NO.C8H12O.C7H10N2.C6H9NS/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-4-14-11(13)9-5-6-10(8(2)3)12-7-9;1-7(2)10-5-4-9(6-11-10)8(3)12;1-7(2)10-6-8(3)5-9(4)11-10;1-6(2)9-7(3)4-8(10)5-11-9;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-6-8(11-3)4-5-10-9;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-5-4-8(3)10-6-9;2*1-7(2)9-6-8(3)4-5-10-9;2*1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-8(9)10-5-7;1-5(2)7-12-4-3-6(13-7)8(9,10)11;1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-4-3-5-8(10)9-7;1-6(2)8-5-4-7(3)9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-7-3-4-8-6/h3-9H,1-2H3;5-6,8-9H,4,7H2,1-3H3;4-8,12H,1-3H3;5-7H,1-4H3;2*4-6H,1-3H3;4*4-7H,1-3H3;5*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);4-6H,1-3H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 3293.92 g/mol, XLogP of 53.49, 29 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-propan-2-ylpyridine;5-chloro-3-methyl-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,4-dimethyl-6-propan-2-ylpyridine;ethyl 6-propan-2-yl-2,3-dihydropyridine-3-carboxylate;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);bis(4-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyridin-2-one;1-(6-propan-2-yl-3-pyridinyl)ethanol;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 162097055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).