3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine

C65H74F7N5O3 — CID 161391924

IUPAC3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cccnc1Oc1ccc(F)cc1.CC(C)(C)c1cccnc1Oc1ccc(F)cc1F.CC(C)(C)c1cccnc1Oc1ccccc1F.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H15F2NO.2C15H16FNO.C10H12F3N.C10H15N/c1-15(2,3)11-5-4-8-18-14(11)19-13-7-6-10(16)9-12(13)17;1-15(2,3)13-5-4-10-17-14(13)18-12-8-6-11(16)7-9-12;1-15(2,3)11-7-6-10-17-14(11)18-13-9-5-4-8-12(13)16;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-8-6-5-7-9(11-8)10(2,3)4/h4-9H,1-3H3;2*4-10H,1-3H3;4-6H,1-3H3;5-7H,1-4H3
InChIKeyVTCBZDHMBLHAPW-UHFFFAOYSA-N
MW1106.33 g/mol
LogP19.16
Rot. Bonds6

About 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine

3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 161391924) has the molecular formula C65H74F7N5O3 and a molecular weight of 1106.33 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
PubChem CID161391924
Molecular FormulaC65H74F7N5O3
Molecular Weight1106.33 g/mol
Exact Mass1105.57
IUPAC Name3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cccnc1Oc1ccc(F)cc1.CC(C)(C)c1cccnc1Oc1ccc(F)cc1F.CC(C)(C)c1cccnc1Oc1ccccc1F.Cc1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H15F2NO.2C15H16FNO.C10H12F3N.C10H15N/c1-15(2,3)11-5-4-8-18-14(11)19-13-7-6-10(16)9-12(13)17;1-15(2,3)13-5-4-10-17-14(13)18-12-8-6-11(16)7-9-12;1-15(2,3)11-7-6-10-17-14(11)18-13-9-5-4-8-12(13)16;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-8-6-5-7-9(11-8)10(2,3)4/h4-9H,1-3H3;2*4-10H,1-3H3;4-6H,1-3H3;5-7H,1-4H3
InChIKeyVTCBZDHMBLHAPW-UHFFFAOYSA-N
XLogP19.16
TPSA92.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.33
LogP ≤ 519.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine (CID 161391924) is 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1cccnc1Oc1ccc(F)cc1.CC(C)(C)c1cccnc1Oc1ccc(F)cc1F.CC(C)(C)c1cccnc1Oc1ccccc1F.Cc1cccc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The InChIKey is VTCBZDHMBLHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO.2C15H16FNO.C10H12F3N.C10H15N/c1-15(2,3)11-5-4-8-18-14(11)19-13-7-6-10(16)9-12(13)17;1-15(2,3)13-5-4-10-17-14(13)18-12-8-6-11(16)7-9-12;1-15(2,3)11-7-6-10-17-14(11)18-13-9-5-4-8-12(13)16;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-8-6-5-7-9(11-8)10(2,3)4/h4-9H,1-3H3;2*4-10H,1-3H3;4-6H,1-3H3;5-7H,1-4H3.
What are the key properties of 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 1106.33 g/mol, XLogP of 19.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161391924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).