2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine

C225H349Cl2F12N23O — CID 159972838

About 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine

2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine (PubChem CID 159972838) has the molecular formula C225H349Cl2F12N23O and a molecular weight of 3691.31 g/mol. Its IUPAC name is 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine
• PubChem CID: 159972838
• Molecular Formula: C225H349Cl2F12N23O
• Molecular Weight: 3691.31 g/mol
• Exact Mass: 3687.72
• IUPAC Name: 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine
• SMILES: C.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(CO)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ncccc1Cl.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCc1ccccn1.CCc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ncc1F.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccnc(C(C)(C)C)c1.Cc1ccncc1.Cc1ccncc1.Clc1ccncc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.c1ccncc1
• InChI: InChI=1S/C11H17N.C10H12F3N.C10H14FN.C10H15NO.3C10H15N.C9H12ClN.2C9H12FN.C7H9N.C6H4F3N.6C6H7N.C5H4ClN.3C5H4FN.C5H5N.13C4H10.CH4/c1-5-9-6-7-12-10(8-9)11(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-7-5-9(10(2,3)4)12-6-8(7)11;1-10(2,3)9-5-4-8(7-12)6-11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-2-7-5-3-4-6-8-7;7-6(8,9)5-1-3-10-4-2-5;2*1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;13*1-4(2)3;/h6-8H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-6,12H,7H2,1-3H3;3*5-7H,1-4H3;3*4-6H,1-3H3;3-6H,2H2,1H3;1-4H;6*2-5H,1H3;4*1-4H;1-5H;13*4H,1-3H3;1H4
• InChIKey: OETUEODRISQKKB-UHFFFAOYSA-N
• XLogP: 67.98
• TPSA: 316.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 3
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3691.31
LogP ≤ 5	67.98
H-Bond Donors ≤ 5	1
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-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine?

The IUPAC name of 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine (CID 159972838) is 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine?

The canonical SMILES for 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine is C.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccc(CO)cn1.CC(C)(C)c1ccc(F)cn1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ncccc1Cl.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCc1ccccn1.CCc1ccnc(C(C)(C)C)c1.Cc1cc(C(C)(C)C)ncc1F.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnc1.Cc1ccnc(C(C)(C)C)c1.Cc1ccncc1.Cc1ccncc1.Clc1ccncc1.FC(F)(F)c1ccncc1.Fc1ccccn1.Fc1cccnc1.Fc1ccncc1.c1ccncc1.

What is the InChIKey of 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine?

The InChIKey is OETUEODRISQKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C10H12F3N.C10H14FN.C10H15NO.3C10H15N.C9H12ClN.2C9H12FN.C7H9N.C6H4F3N.6C6H7N.C5H4ClN.3C5H4FN.C5H5N.13C4H10.CH4/c1-5-9-6-7-12-10(8-9)11(2,3)4;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-7-5-9(10(2,3)4)12-6-8(7)11;1-10(2,3)9-5-4-8(7-12)6-11-9;1-8-5-6-11-9(7-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)8-5-4-7(10)6-11-8;1-9(2,3)7-5-4-6-8(10)11-7;1-2-7-5-3-4-6-8-7;7-6(8,9)5-1-3-10-4-2-5;2*1-6-2-4-7-5-3-6;3*1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;2*6-5-1-3-7-4-2-5;6-5-2-1-3-7-4-5;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1;13*1-4(2)3;/h6-8H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;4-6,12H,7H2,1-3H3;3*5-7H,1-4H3;3*4-6H,1-3H3;3-6H,2H2,1H3;1-4H;6*2-5H,1H3;4*1-4H;1-5H;13*4H,1-3H3;1H4.

What are the key properties of 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine?

2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 3691.31 g/mol, XLogP of 67.98, 3 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-3-chloropyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-5-fluoro-4-methylpyridine;2-tert-butyl-5-fluoropyridine;2-tert-butyl-6-fluoropyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;(6-tert-butyl-3-pyridinyl)methanol;2-tert-butyl-5-(trifluoromethyl)pyridine;4-chloropyridine;2-ethylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;tridecakis(2-methylpropane);2-methylpyridine;tris(3-methylpyridine);bis(4-methylpyridine);pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159972838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).