3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine

C87H116ClF10N9 — CID 159105703

About 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine

3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine (PubChem CID 159105703) has the molecular formula C87H116ClF10N9 and a molecular weight of 1513.38 g/mol. Its IUPAC name is 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine
• PubChem CID: 159105703
• Molecular Formula: C87H116ClF10N9
• Molecular Weight: 1513.38 g/mol
• Exact Mass: 1511.89
• IUPAC Name: 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine
• SMILES: C=C(C)c1cnc(C(C)C)c(F)c1.CC(C)(C)c1cc(F)cnc1F.CC(C)(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(F)cc1F.Cc1cc(C)c(C(C)(C)C)cn1.Cc1cccnc1C(C)C.Cc1cnc(C(C)(C)C)c(C)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(F)c1
• InChI: InChI=1S/C11H14FN.2C11H17N.C10H11F4N.C9H12ClN.C9H11F2N.C9H12FN.C9H13N.C8H9F2N/c1-7(2)9-5-10(12)11(8(3)4)13-6-9;1-8-6-9(2)12-7-10(8)11(3,4)5;1-8-6-9(2)10(12-7-8)11(3,4)5;1-9(2,3)8-7(11)4-6(5-15-8)10(12,13)14;1-6(2)9-8(10)4-7(3)5-11-9;1-9(2,3)7-4-6(10)5-12-8(7)11;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-8(3)5-4-6-10-9;1-5(2)8-7(10)3-6(9)4-11-8/h5-6,8H,1H2,2-4H3;2*6-7H,1-5H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3
• InChIKey: KDVWAIGHJNVHJL-UHFFFAOYSA-N
• XLogP: 26.38
• TPSA: 116.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1513.38
LogP ≤ 5	26.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine?

The IUPAC name of 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine (CID 159105703) is 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine.

What is the SMILES notation for 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine?

The canonical SMILES for 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine is C=C(C)c1cnc(C(C)C)c(F)c1.CC(C)(C)c1cc(F)cnc1F.CC(C)(C)c1ncc(C(F)(F)F)cc1F.CC(C)c1ncc(F)cc1F.Cc1cc(C)c(C(C)(C)C)cn1.Cc1cccnc1C(C)C.Cc1cnc(C(C)(C)C)c(C)c1.Cc1cnc(C(C)C)c(Cl)c1.Cc1cnc(C(C)C)c(F)c1.

What is the InChIKey of 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine?

The InChIKey is KDVWAIGHJNVHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN.2C11H17N.C10H11F4N.C9H12ClN.C9H11F2N.C9H12FN.C9H13N.C8H9F2N/c1-7(2)9-5-10(12)11(8(3)4)13-6-9;1-8-6-9(2)12-7-10(8)11(3,4)5;1-8-6-9(2)10(12-7-8)11(3,4)5;1-9(2,3)8-7(11)4-6(5-15-8)10(12,13)14;1-6(2)9-8(10)4-7(3)5-11-9;1-9(2,3)7-4-6(10)5-12-8(7)11;1-6(2)9-8(10)4-7(3)5-11-9;1-7(2)9-8(3)5-4-6-10-9;1-5(2)8-7(10)3-6(9)4-11-8/h5-6,8H,1H2,2-4H3;2*6-7H,1-5H3;4-5H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3.

What are the key properties of 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine?

3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine has a molecular weight of 1513.38 g/mol, XLogP of 26.38, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-2,5-difluoropyridine;2-tert-butyl-3,5-dimethylpyridine;5-tert-butyl-2,4-dimethylpyridine;2-tert-butyl-3-fluoro-5-(trifluoromethyl)pyridine;3-chloro-5-methyl-2-propan-2-ylpyridine;3,5-difluoro-2-propan-2-ylpyridine;3-fluoro-5-methyl-2-propan-2-ylpyridine;3-fluoro-2-propan-2-yl-5-prop-1-en-2-ylpyridine;3-methyl-2-propan-2-ylpyridine is sourced from PubChem (CID 159105703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).