5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine

C166H229ClF4N28O4 — CID 158974390

About 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine

5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 158974390) has the molecular formula C166H229ClF4N28O4 and a molecular weight of 2792.29 g/mol. Its IUPAC name is 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine
• PubChem CID: 158974390
• Molecular Formula: C166H229ClF4N28O4
• Molecular Weight: 2792.29 g/mol
• Exact Mass: 2789.82
• IUPAC Name: 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine
• SMILES: CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(C(N)=O)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1
• InChI: InChI=1S/C9H10F3N.C9H12N2O.2C9H13NO.5C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO.3C8H11N.3C7H10N2/c1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;2*1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;5*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3
• InChIKey: JOEZCZGWOWDZGF-UHFFFAOYSA-N
• XLogP: 44.52
• TPSA: 446.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2792.29
LogP ≤ 5	44.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

The IUPAC name of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine (CID 158974390) is 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

The canonical SMILES for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine is CC(C)c1ccc(C(F)(F)F)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(N=[N+]=[N-])cn1.CC(C)c1cccc(N)n1.CC(C)c1cccc[n+]1[O-].CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncc(C(N)=O)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.

What is the InChIKey of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

The InChIKey is JOEZCZGWOWDZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.C9H12N2O.2C9H13NO.5C9H13N.C8H10ClN.C8H10FN.C8H10N4.C8H12N2.C8H11NO.3C8H11N.3C7H10N2/c1-6(2)8-4-3-7(5-13-8)9(10,11)12;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;2*1-7(2)9-6-4-5-8(3)10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-4-3-7(5-10-8)11-12-9;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;5*4-7H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);3-7H,1-2H3;3*3-7H,1-2H3;3*3-6H,1-2H3.

What are the key properties of 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine?

5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 2792.29 g/mol, XLogP of 44.52, 24 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;bis(2-methyl-6-propan-2-ylpyridine);4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carboxamide;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158974390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).