2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one

C133H192Cl2F2N16O2 — CID 157360478

About 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one

2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one (PubChem CID 157360478) has the molecular formula C133H192Cl2F2N16O2 and a molecular weight of 2156.01 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one
• PubChem CID: 157360478
• Molecular Formula: C133H192Cl2F2N16O2
• Molecular Weight: 2156.01 g/mol
• Exact Mass: 2153.48
• IUPAC Name: 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one
• SMILES: C.C.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccnc1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(F)Oc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1
• InChI: InChI=1S/C10H14FNO.C10H15N.7C9H13N.2C8H10ClN.C8H10FN.C8H12N2.C8H11NO.C8H11N.2CH4/c1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-7(2)10-5-8(3)9(4)11-6-10;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;3*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-5-4-7(3)9-10-8;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-4-3-5-9-6-8;;/h4-8H,1-3H3;5-7H,1-4H3;7*4-7H,1-3H3;3*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;2*1H4
• InChIKey: BIORYWDQLVHWAP-UHFFFAOYSA-N
• XLogP: 38.26
• TPSA: 235.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2156.01
LogP ≤ 5	38.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

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;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?

The IUPAC name of 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one (CID 157360478) is 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one.

What is the SMILES notation for 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?

The canonical SMILES for 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one is C.C.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccnc1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(F)Oc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cnc1C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1cccc(C(C)C)n1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.

What is the InChIKey of 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?

The InChIKey is BIORYWDQLVHWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.C10H15N.7C9H13N.2C8H10ClN.C8H10FN.C8H12N2.C8H11NO.C8H11N.2CH4/c1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-7(2)10-5-8(3)9(4)11-6-10;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;3*1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-5-4-7(3)9-10-8;1-6(2)7-4-3-5-9-8(7)10;1-7(2)8-4-3-5-9-6-8;;/h4-8H,1-3H3;5-7H,1-4H3;7*4-7H,1-3H3;3*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3,(H,9,10);3-7H,1-2H3;2*1H4.

What are the key properties of 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one?

2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 2156.01 g/mol, XLogP of 38.26, 17 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 157360478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).