2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)

C184H281ClN26O6S3 — CID 161266132

About 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)

2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) (PubChem CID 161266132) has the molecular formula C184H281ClN26O6S3 and a molecular weight of 3085.10 g/mol. Its IUPAC name is 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole).

Molecular Properties

• Compound Name: 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
• PubChem CID: 161266132
• Molecular Formula: C184H281ClN26O6S3
• Molecular Weight: 3085.10 g/mol
• Exact Mass: 3082.13
• IUPAC Name: 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
• SMILES: CC(C)C1=NCC=C1.CC(C)C1CCCC1=O.CC(C)C1CCCCC1.CC(C)C1CN2CCC1CC2.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1ccco1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nnco1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C10H19N.C10H15N.C9H13N.C9H18.2C9H12.C8H10ClN.3C8H11N.C8H14O.2C7H10N2.2C7H11N.C7H10O.C6H10N2S.2C6H10N2.3C6H9NO.2C6H9NS.C5H8N2O/c1-8(2)10-7-11-5-3-9(10)4-6-11;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)9-5-4-8(3)6-10-9;3*1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8(7)9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;4*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h8-10H,3-7H2,1-2H3;5-7H,1-4H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;6-7H,3-5H2,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3
• InChIKey: VDFBQFZVCLFYOJ-UHFFFAOYSA-N
• XLogP: 53.20
• TPSA: 416.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3085.10
LogP ≤ 5	53.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

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;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?

The IUPAC name of 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) (CID 161266132) is 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole).

What is the SMILES notation for 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?

The canonical SMILES for 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) is CC(C)C1=NCC=C1.CC(C)C1CCCC1=O.CC(C)C1CCCCC1.CC(C)C1CN2CCC1CC2.CC(C)c1ccc[nH]1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1Cl.CC(C)c1ccco1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nnco1.Cc1cc(C)nc(C(C)C)c1.Cc1ccc(C(C)C)nc1.Cc1nnc(C(C)C)s1.

What is the InChIKey of 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?

The InChIKey is VDFBQFZVCLFYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C10H15N.C9H13N.C9H18.2C9H12.C8H10ClN.3C8H11N.C8H14O.2C7H10N2.2C7H11N.C7H10O.C6H10N2S.2C6H10N2.3C6H9NO.2C6H9NS.C5H8N2O/c1-8(2)10-7-11-5-3-9(10)4-6-11;1-7(2)10-6-8(3)5-9(4)11-10;1-7(2)9-5-4-8(3)6-10-9;3*1-8(2)9-6-4-3-5-7-9;1-6(2)7-4-3-5-10-8(7)9;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8(7)9;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;3*1-6(2)7-4-3-5-8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;4*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h8-10H,3-7H2,1-2H3;5-7H,1-4H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3;3*3-7H,1-2H3;6-7H,3-5H2,1-2H3;2*3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?

2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) has a molecular weight of 3085.10 g/mol, XLogP of 53.20, 25 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-propan-2-ylpyridine;cumene;2,4-dimethyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-propan-2-yl-1-azabicyclo[2.2.2]octane;propan-2-ylcyclohexane;2-propan-2-ylcyclopentan-1-one;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 161266132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).