2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

C161H226Cl2F2N22O3 — CID 157190666

About 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (PubChem CID 157190666) has the molecular formula C161H226Cl2F2N22O3 and a molecular weight of 2626.63 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
• PubChem CID: 157190666
• Molecular Formula: C161H226Cl2F2N22O3
• Molecular Weight: 2626.63 g/mol
• Exact Mass: 2623.76
• IUPAC Name: 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
• SMILES: CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1O.CC(C)c1ccncn1.CC(C)c1ncccn1.CC(F)Oc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.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.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cc1F
• InChI: InChI=1S/C10H14FNO.C9H12FN.8C9H13N.2C8H10ClN.C8H12N2.2C8H11NO.2C8H11N.2C7H10N2/c1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)8-4-9(10)7(3)11-5-8;5*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;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)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-4-7(3)9-10-8;1-6(2)7-3-4-9-5-8(7)10;1-6(2)7-4-3-5-9-8(7)10;2*1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h4-8H,1-3H3;4-6H,1-3H3;8*4-7H,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);2*3-7H,1-2H3;2*3-6H,1-2H3
• InChIKey: APQVIKBLYNWUAD-UHFFFAOYSA-N
• XLogP: 44.30
• TPSA: 333.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.63
LogP ≤ 5	44.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The IUPAC name of 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (CID 157190666) is 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

What is the SMILES notation for 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The canonical SMILES for 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1O.CC(C)c1ccncn1.CC(C)c1ncccn1.CC(F)Oc1ccc(C(C)C)cn1.Cc1cc(C(C)C)ccn1.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.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cc1F.

What is the InChIKey of 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The InChIKey is APQVIKBLYNWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.C9H12FN.8C9H13N.2C8H10ClN.C8H12N2.2C8H11NO.2C8H11N.2C7H10N2/c1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)8-4-9(10)7(3)11-5-8;5*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;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)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-6(2)8-5-4-7(3)9-10-8;1-6(2)7-3-4-9-5-8(7)10;1-6(2)7-4-3-5-9-8(7)10;2*1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7/h4-8H,1-3H3;4-6H,1-3H3;8*4-7H,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,9,10);2*3-7H,1-2H3;2*3-6H,1-2H3.

What are the key properties of 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine has a molecular weight of 2626.63 g/mol, XLogP of 44.30, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;pentakis(3-methyl-5-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridin-3-ol;3-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 157190666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).