2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile
C206H297Cl9F3N25O5S9 — CID 159323793
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile
SMILESCC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1cc(C#N)cs1.CC(C)c1cc(Cl)cs1.CC(C)c1cc(Cl)sc1Cl.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cnccc1Cl.CC(C)c1csc(N2CCOCC2)n1.CC(C)c1csc2c1CCNC2.CC(C)c1sccc1Cl.CCc1cc(C(C)C)ccn1.COc1ncccc1C(C)C.Cc1cc(Cl)ncc1C(C)C.Cc1cscc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nccc(C(C)C)c1C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C11H17NO.C10H16N2OS.C10H15NS.2C10H15N.C9H12ClN.C9H13NO.C9H13N.C8H9Cl2N.2C8H10ClN.C8H9F2N.C8H10FN.C8H13NO.C8H9NS.C8H13NS.C8H14O.C8H12S.C7H8Cl2S.2C7H9ClS.2C7H12N2.C7H11NS.C6H11N3/c1-8(2)10-6-5-7-12-11(10)13-9(3)4;1-8(2)9-7-14-10(11-9)12-3-5-13-6-4-12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)10-5-6-11-9(4)8(10)3;1-4-10-7-9(8(2)3)5-6-11-10;1-6(2)8-5-11-9(10)4-7(8)3;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-4-3-5-10-8(7)9;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)8-6(3)10-7(4)9-8;1-6(2)8-3-7(4-9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-9-4-7(8)3;1-4(2)5-3-6(8)10-7(5)9;1-5(2)7-3-6(8)4-9-7;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-4-9(3)8-7-6/h5-9H,1-4H3;7-8H,3-6H2,1-2H3;6-7,11H,3-5H2,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;3,5-6H,1-2H3;5H,1-4H3;3,7H,4-6H2,1-2H3;4-6H,1-3H3;3-4H,1-2H3;2*3-5H,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3
InChIKeyLECGPFDSXAZBAD-UHFFFAOYSA-N
MW3868.49 g/mol
LogP66.19
Rot. Bonds30
About 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile
2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile (PubChem CID 159323793) has the molecular formula C206H297Cl9F3N25O5S9 and a molecular weight of 3868.49 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile.
Molecular Properties
| Compound Name | 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile |
|---|---|
| PubChem CID | 159323793 |
| Molecular Formula | C206H297Cl9F3N25O5S9 |
| Molecular Weight | 3868.49 g/mol |
| Exact Mass | 3860.84 |
| IUPAC Name | 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile |
| SMILES | CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1cc(C#N)cs1.CC(C)c1cc(Cl)cs1.CC(C)c1cc(Cl)sc1Cl.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cnccc1Cl.CC(C)c1csc(N2CCOCC2)n1.CC(C)c1csc2c1CCNC2.CC(C)c1sccc1Cl.CCc1cc(C(C)C)ccn1.COc1ncccc1C(C)C.Cc1cc(Cl)ncc1C(C)C.Cc1cscc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nccc(C(C)C)c1C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C |
| InChI | InChI=1S/C11H17NO.C10H16N2OS.C10H15NS.2C10H15N.C9H12ClN.C9H13NO.C9H13N.C8H9Cl2N.2C8H10ClN.C8H9F2N.C8H10FN.C8H13NO.C8H9NS.C8H13NS.C8H14O.C8H12S.C7H8Cl2S.2C7H9ClS.2C7H12N2.C7H11NS.C6H11N3/c1-8(2)10-6-5-7-12-11(10)13-9(3)4;1-8(2)9-7-14-10(11-9)12-3-5-13-6-4-12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)10-5-6-11-9(4)8(10)3;1-4-10-7-9(8(2)3)5-6-11-10;1-6(2)8-5-11-9(10)4-7(8)3;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-4-3-5-10-8(7)9;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)8-6(3)10-7(4)9-8;1-6(2)8-3-7(4-9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-9-4-7(8)3;1-4(2)5-3-6(8)10-7(5)9;1-5(2)7-3-6(8)4-9-7;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-4-9(3)8-7-6/h5-9H,1-4H3;7-8H,3-6H2,1-2H3;6-7,11H,3-5H2,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;3,5-6H,1-2H3;5H,1-4H3;3,7H,4-6H2,1-2H3;4-6H,1-3H3;3-4H,1-2H3;2*3-5H,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3 |
| InChIKey | LECGPFDSXAZBAD-UHFFFAOYSA-N |
| XLogP | 66.19 |
| TPSA | 348.82 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 257 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3868.49 |
| LogP ≤ 5 | 66.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 39 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile?
The IUPAC name of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile (CID 159323793) is 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile?
The canonical SMILES for 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile is CC(C)C1=CCOCC1.CC(C)Oc1ncccc1C(C)C.CC(C)c1cc(C#N)cs1.CC(C)c1cc(Cl)cs1.CC(C)c1cc(Cl)sc1Cl.CC(C)c1ccc(Cl)nc1Cl.CC(C)c1ccc(F)nc1F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1ccn(C)n1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cnccc1Cl.CC(C)c1csc(N2CCOCC2)n1.CC(C)c1csc2c1CCNC2.CC(C)c1sccc1Cl.CCc1cc(C(C)C)ccn1.COc1ncccc1C(C)C.Cc1cc(Cl)ncc1C(C)C.Cc1cscc1C(C)C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nccc(C(C)C)c1C.Cc1ncccc1C(C)C.Cc1ncsc1C(C)C.
What is the InChIKey of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile?
The InChIKey is LECGPFDSXAZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C10H16N2OS.C10H15NS.2C10H15N.C9H12ClN.C9H13NO.C9H13N.C8H9Cl2N.2C8H10ClN.C8H9F2N.C8H10FN.C8H13NO.C8H9NS.C8H13NS.C8H14O.C8H12S.C7H8Cl2S.2C7H9ClS.2C7H12N2.C7H11NS.C6H11N3/c1-8(2)10-6-5-7-12-11(10)13-9(3)4;1-8(2)9-7-14-10(11-9)12-3-5-13-6-4-12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)10-5-6-11-9(4)8(10)3;1-4-10-7-9(8(2)3)5-6-11-10;1-6(2)8-5-11-9(10)4-7(8)3;1-7(2)8-5-4-6-10-9(8)11-3;1-7(2)9-5-4-6-10-8(9)3;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-5-10-4-3-8(7)9;1-6(2)7-4-3-5-10-8(7)9;1-5(2)6-3-4-7(9)11-8(6)10;1-6(2)7-4-3-5-10-8(7)9;1-5(2)8-6(3)10-7(4)9-8;1-6(2)8-3-7(4-9)5-10-8;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-5-9-4-7(8)3;1-4(2)5-3-6(8)10-7(5)9;1-5(2)7-3-6(8)4-9-7;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-4-9(3)8-7-6/h5-9H,1-4H3;7-8H,3-6H2,1-2H3;6-7,11H,3-5H2,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;5H,1-4H3;3,5-6H,1-2H3;5H,1-4H3;3,7H,4-6H2,1-2H3;4-6H,1-3H3;3-4H,1-2H3;2*3-5H,1-2H3;2*4-6H,1-3H3;2*4-5H,1-3H3.
What are the key properties of 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile?
2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile has a molecular weight of 3868.49 g/mol, XLogP of 66.19, 30 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-propan-2-ylpyridine;2-chloro-3-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;2,6-dichloro-3-propan-2-ylpyridine;2,5-dichloro-3-propan-2-ylthiophene;2,6-difluoro-3-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,3-dimethyl-4-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-ethyl-4-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-3-propan-2-ylpyridine;4-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-ylthiophene;1-methyl-4-propan-2-yltriazole;4-propan-2-yl-3,6-dihydro-2H-pyran;3-propan-2-yl-2-propan-2-yloxypyridine;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine;5-propan-2-ylthiophene-3-carbonitrile is sourced from PubChem (CID 159323793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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