2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole

C118H184Cl2N18O2 — CID 159200127

About 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole

2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole (PubChem CID 159200127) has the molecular formula C118H184Cl2N18O2 and a molecular weight of 1957.80 g/mol. Its IUPAC name is 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole.

Molecular Properties

• Compound Name: 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole
• PubChem CID: 159200127
• Molecular Formula: C118H184Cl2N18O2
• Molecular Weight: 1957.80 g/mol
• Exact Mass: 1955.42
• IUPAC Name: 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole
• SMILES: C.C.C.C.C.C.CC(C)C1=NCC=C1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nnco1.Cc1cc(C)nc(C(C)C)c1
• InChI: InChI=1S/C10H15N.C9H12.2C8H10ClN.4C8H11N.2C7H10N2.2C7H11N.C6H10N2.C6H9NO.C5H8N2O.6CH4/c1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;/h5-7H,1-4H3;3-8H,1-2H3;2*3-6H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3;6*1H4
• InChIKey: KPEILKCENFTAAH-UHFFFAOYSA-N
• XLogP: 35.50
• TPSA: 263.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.80
LogP ≤ 5	35.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole?

The IUPAC name of 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole (CID 159200127) is 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole.

What is the SMILES notation for 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole?

The canonical SMILES for 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole is C.C.C.C.C.C.CC(C)C1=NCC=C1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1ccncc1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nnco1.Cc1cc(C)nc(C(C)C)c1.

What is the InChIKey of 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole?

The InChIKey is KPEILKCENFTAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12.2C8H10ClN.4C8H11N.2C7H10N2.2C7H11N.C6H10N2.C6H9NO.C5H8N2O.6CH4/c1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;;;;;;/h5-7H,1-4H3;3-8H,1-2H3;2*3-6H,1-2H3;4*3-7H,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3;3-4H,1-2H3;6*1H4.

What are the key properties of 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole?

2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole has a molecular weight of 1957.80 g/mol, XLogP of 35.50, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;methane;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 159200127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).