3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine

C167H264BrClF7N21O7 — CID 159311890

About 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;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;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 159311890) has the molecular formula C167H264BrClF7N21O7 and a molecular weight of 2926.43 g/mol. Its IUPAC name is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;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;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
• PubChem CID: 159311890
• Molecular Formula: C167H264BrClF7N21O7
• Molecular Weight: 2926.43 g/mol
• Exact Mass: 2922.97
• IUPAC Name: 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1
• InChI: InChI=1S/C13H15N.C11H15NO.2C10H15N.5C9H13NO.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.2C8H12N2.C8H11NO.14CH4/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)10-6-11-9(4)5-8(10)3;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;2*1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)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)7-3-4-8(10)9-5-7;;;;;;;;;;;;;;/h4-9H,1-3H3;3,6-8,10H,4-5H2,1-2H3;2*5-7H,1-4H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);14*1H4
• InChIKey: LCQPNJBYQLPBJT-UHFFFAOYSA-N
• XLogP: 48.04
• TPSA: 372.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2926.43
LogP ≤ 5	48.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;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;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 159311890) is 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;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;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;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;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cncc(Br)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C)c(C(C)C)cn1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c[n+]1[O-].Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)c2ccccc12.Cc1ncc(C(C)C)cc1O.Cc1ncc(C(C)C)cn1.

What is the InChIKey of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine?

The InChIKey is LCQPNJBYQLPBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C11H15NO.2C10H15N.5C9H13NO.C8H10BrN.C8H10ClN.2C8H9F3N2.C8H10FN.2C8H12N2.C8H11NO.14CH4/c1-9(2)13-8-14-10(3)11-6-4-5-7-12(11)13;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-7(2)10-6-11-9(4)5-8(10)3;1-7(2)10-6-5-8(3)11-9(10)4;1-6(2)8-4-9(11)7(3)10-5-8;1-6(2)8-5-10-7(3)4-9(8)11;2*1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)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)7-3-4-8(10)9-5-7;;;;;;;;;;;;;;/h4-9H,1-3H3;3,6-8,10H,4-5H2,1-2H3;2*5-7H,1-4H3;4-6,11H,1-3H3;4-6H,1-3H3,(H,10,11);3*4-7H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3,(H,9,10);14*1H4.

What are the key properties of 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;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;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 2926.43 g/mol, XLogP of 48.04, 18 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-5-propan-2-ylpyridine;2,6-dimethyl-3-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylisoquinoline;2-methyl-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159311890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).