2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

C119H146ClF6N9O4 — CID 160781131

About 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine

2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160781131) has the molecular formula C119H146ClF6N9O4 and a molecular weight of 1915.98 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
• PubChem CID: 160781131
• Molecular Formula: C119H146ClF6N9O4
• Molecular Weight: 1915.98 g/mol
• Exact Mass: 1914.11
• IUPAC Name: 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
• SMILES: CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cncnc1.CC(C)c1nccc2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1OC.COc1cccc(C(C)C)c1
• InChI: InChI=1S/3C12H13N.C11H16O2.C10H11F3.2C10H14O.C9H10F3N.C9H10N2.C9H12.C8H10ClN.C7H10N2/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-8-5-9-4-7/h3*3-9H,1-2H3;5-8H,1-4H3;3-7H,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;3-4,6-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3
• InChIKey: SAOXROVCNKKAPP-UHFFFAOYSA-N
• XLogP: 34.94
• TPSA: 163.83 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1915.98
LogP ≤ 5	34.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The IUPAC name of 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 160781131) is 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The canonical SMILES for 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1ccccc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2ccccc12.CC(C)c1cncnc1.CC(C)c1nccc2ccccc12.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1OC.COc1cccc(C(C)C)c1.

What is the InChIKey of 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

The InChIKey is SAOXROVCNKKAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N.C11H16O2.C10H11F3.2C10H14O.C9H10F3N.C9H10N2.C9H12.C8H10ClN.C7H10N2/c1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)9-4-3-8(5-10)6-11-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-8-5-9-4-7/h3*3-9H,1-2H3;5-8H,1-4H3;3-7H,1-2H3;2*4-8H,1-3H3;3-6H,1-2H3;3-4,6-7H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3.

What are the key properties of 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine?

2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 1915.98 g/mol, XLogP of 34.94, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-propan-2-ylpyridine;cumene;1,2-dimethoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-ylquinoline;1-propan-2-yl-3-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160781131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).