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
C138H198ClF6N17O2 — CID 160698876
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-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
SMILESC.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.CCc1ncccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C.Cc1nccnc1C(C)C.Cc1nnccc1C(C)C
InChIInChI=1S/C11H17N.C10H15NO.3C10H15N.2C9H10F3N.C9H13NO.3C9H13N.C8H10ClN.2C8H12N2.C8H11N.CH4/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;1-7(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)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-7(2)8-4-3-5-9-6-8;/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;3-5,7,11H,6H2,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;1H4
InChIKeyRQIUIQZEKGJROW-UHFFFAOYSA-N
MW2276.66 g/mol
LogP38.68
Rot. Bonds20
About 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
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 (PubChem CID 160698876) has the molecular formula C138H198ClF6N17O2 and a molecular weight of 2276.66 g/mol. Its IUPAC name is 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.
Molecular Properties
| Compound Name | 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 |
|---|---|
| PubChem CID | 160698876 |
| Molecular Formula | C138H198ClF6N17O2 |
| Molecular Weight | 2276.66 g/mol |
| Exact Mass | 2274.55 |
| IUPAC Name | 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 |
| SMILES | C.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.CCc1ncccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C.Cc1nccnc1C(C)C.Cc1nnccc1C(C)C |
| InChI | InChI=1S/C11H17N.C10H15NO.3C10H15N.2C9H10F3N.C9H13NO.3C9H13N.C8H10ClN.2C8H12N2.C8H11N.CH4/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;1-7(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)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-7(2)8-4-3-5-9-6-8;/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;3-5,7,11H,6H2,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;1H4 |
| InChIKey | RQIUIQZEKGJROW-UHFFFAOYSA-N |
| XLogP | 38.68 |
| TPSA | 259.59 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 164 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2276.66 |
| LogP ≤ 5 | 38.68 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 19 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.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.CCc1ncccc1C(C)C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)cn1.Cc1ccnc(C)c1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C.Cc1nccnc1C(C)C.Cc1nnccc1C(C)C.
What is the InChIKey of 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?
The InChIKey is RQIUIQZEKGJROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H15NO.3C10H15N.2C9H10F3N.C9H13NO.3C9H13N.C8H10ClN.2C8H12N2.C8H11N.CH4/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;1-7(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)8-7(3)9-4-5-10-8;1-6(2)8-4-5-9-10-7(8)3;1-7(2)8-4-3-5-9-6-8;/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;3-5,7,11H,6H2,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3;2*4-6H,1-3H3;3-7H,1-2H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 2276.66 g/mol, XLogP of 38.68, 20 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160698876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160698876 — identifiers, structure, computed properties (public domain)
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