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

C108H129F7N8O4 — CID 158769619

IUPAC3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cn1.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.CCc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C
InChIInChI=1S/C17H21NO.C15H15F2NO.2C15H16FNO.C15H17N.C11H17N.C10H12F3N.C10H15N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-15(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;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;1-5-9-7-6-8-10(12-9)11(2,3)4;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/h6-11H,1-5H3;4-9H,1-3H3;2*4-10H,1-3H3;4-11H,1-3H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3
InChIKeyIPRWLXZXTDIBEB-UHFFFAOYSA-N
MW1736.26 g/mol
LogP30.93
Rot. Bonds10

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

3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 158769619) has the molecular formula C108H129F7N8O4 and a molecular weight of 1736.26 g/mol. Its IUPAC name is 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
PubChem CID158769619
Molecular FormulaC108H129F7N8O4
Molecular Weight1736.26 g/mol
Exact Mass1735.00
IUPAC Name3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cn1.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.CCc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C
InChIInChI=1S/C17H21NO.C15H15F2NO.2C15H16FNO.C15H17N.C11H17N.C10H12F3N.C10H15N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-15(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;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;1-5-9-7-6-8-10(12-9)11(2,3)4;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/h6-11H,1-5H3;4-9H,1-3H3;2*4-10H,1-3H3;4-11H,1-3H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-7H,1-4H3
InChIKeyIPRWLXZXTDIBEB-UHFFFAOYSA-N
XLogP30.93
TPSA140.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001736.26
LogP ≤ 530.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
6,6'-(4,4'-Di-tert-butyl-5,5'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908885
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2',6'-Difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine
CID 168308207
2-[[5,11,17,23-Tetratert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 15163579
2-[(26,27,28-Tripyridin-2-yloxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)oxy]pyridine
CID 15514514
5,5-Bis[(2-fluoro-4-pyridinyl)methyl]-5H-[1]benzopyrano[2,3-b]pyridine
CID 19606084
5,5-Bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine
CID 19606107
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]pyridine
CID 57968013
5-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-2-[4-[2-[4-[5-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridin-2-yl]oxyphenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]pyridine
CID 57968081
2-[4-[(E)-2-[4-[(3,4-difluoro-5-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-1,2-difluoroethenyl]-3,5-difluorophenyl]-5-(4-pentylcyclohexyl)pyridine
CID 58383788

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine (CID 158769619) is 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(-c2ccccc2)cn1.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.CCc1cccc(C(C)(C)C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccc(Oc2ncccc2C(C)(C)C)c1C.
What is the InChIKey of 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
The InChIKey is IPRWLXZXTDIBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.C15H15F2NO.2C15H16FNO.C15H17N.C11H17N.C10H12F3N.C10H15N/c1-12-8-6-10-15(13(12)2)19-16-14(17(3,4)5)9-7-11-18-16;1-15(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;1-15(2,3)14-10-9-13(11-16-14)12-7-5-4-6-8-12;1-5-9-7-6-8-10(12-9)11(2,3)4;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/h6-11H,1-5H3;4-9H,1-3H3;2*4-10H,1-3H3;4-11H,1-3H3;6-8H,5H2,1-4H3;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-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine?
3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 1736.26 g/mol, XLogP of 30.93, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(2,4-difluorophenoxy)pyridine;3-tert-butyl-2-(2,3-dimethylphenoxy)pyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-2-(2-fluorophenoxy)pyridine;3-tert-butyl-2-(4-fluorophenoxy)pyridine;2-tert-butyl-6-methylpyridine;2-tert-butyl-5-phenylpyridine;2-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158769619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).