3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
C231H297BrClF7N38 — CID 158828415
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1
InChIInChI=1S/3C12H15N.C12H13N.C12H14.2C11H14N2.2C11H13N.2C10H12N2.C9H11N3.C9H15N3.2C9H13N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-7(2)9-10-5-8(6-11-9)12(3)4;2*1-7(2)9-4-8(3)5-10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-5(2)7-9-3-6(8)4-10-7/h3*4-9H,1-3H3;3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;2*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*4-6H,1-3H3;3-5H,8H2,1-2H3
InChIKeyIWSXIEDIZRCOIJ-UHFFFAOYSA-N
MW3854.53 g/mol
LogP63.08
Rot. Bonds25
About 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 158828415) has the molecular formula C231H297BrClF7N38 and a molecular weight of 3854.53 g/mol. Its IUPAC name is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
Molecular Properties
| Compound Name | 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine |
|---|---|
| PubChem CID | 158828415 |
| Molecular Formula | C231H297BrClF7N38 |
| Molecular Weight | 3854.53 g/mol |
| Exact Mass | 3850.32 |
| IUPAC Name | 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine |
| SMILES | CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1 |
| InChI | InChI=1S/3C12H15N.C12H13N.C12H14.2C11H14N2.2C11H13N.2C10H12N2.C9H11N3.C9H15N3.2C9H13N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-7(2)9-10-5-8(6-11-9)12(3)4;2*1-7(2)9-4-8(3)5-10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-5(2)7-9-3-6(8)4-10-7/h3*4-9H,1-3H3;3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;2*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*4-6H,1-3H3;3-5H,8H2,1-2H3 |
| InChIKey | IWSXIEDIZRCOIJ-UHFFFAOYSA-N |
| XLogP | 63.08 |
| TPSA | 468.00 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 278 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3854.53 |
| LogP ≤ 5 | 63.08 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
Frequently Asked Questions
What is the IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 158828415) is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1ccc2c(ccn2C)c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C=CC2.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2c1ncn2C.CC(C)c1cccc2ccn(C)c12.CC(C)c1cccc2n[nH]nc12.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(C)c1cncc2ccccc12.CC(C)c1ncc(N(C)C)cn1.CC(C)c1ncc(N)cn1.Cc1cnc(C(C)C)cn1.Cc1cnc(C(C)C)nc1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cn1.
What is the InChIKey of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is IWSXIEDIZRCOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H15N.C12H13N.C12H14.2C11H14N2.2C11H13N.2C10H12N2.C9H11N3.C9H15N3.2C9H13N.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.3C8H12N2.C7H11N3/c1-9(2)10-4-5-12-11(8-10)6-7-13(12)3;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-9(2)11-6-4-5-10-7-8-13(3)12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-8(2)9-5-4-6-10-11(9)12-7-13(10)3;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-6(2)7-4-3-5-8-9(7)11-12-10-8;1-7(2)9-10-5-8(6-11-9)12(3)4;2*1-7(2)9-4-8(3)5-10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8;1-6(2)8-9-4-7(3)5-10-8;1-5(2)7-9-3-6(8)4-10-7/h3*4-9H,1-3H3;3-9H,1-2H3;3-5,7-9H,6H2,1-2H3;2*4-8H,1-3H3;2*3-8,12H,1-2H3;2*3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,11,12);5-7H,1-4H3;2*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*4-6H,1-3H3;3-5H,8H2,1-2H3.
What are the key properties of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 3854.53 g/mol, XLogP of 63.08, 25 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158828415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158828415 — identifiers, structure, computed properties (public domain)
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