5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine

C94H98F12N6O7 — CID 173372521

IUPAC5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCOc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCc1ccc(-c2ccc(OC(F)F)nc2)cc1
InChIInChI=1S/C18H21F2NO.C17H19F2NO.C16H17F2NO.C15H15F2NO.C14H13F2NO2.C14H13F2NO/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(21-13-16)22-18(19)20;1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(20-12-15)21-17(18)19;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(19-11-14)20-16(17)18;1-2-3-11-4-6-12(7-5-11)13-8-9-14(18-10-13)19-15(16)17;1-2-18-12-6-3-10(4-7-12)11-5-8-13(17-9-11)19-14(15)16;1-2-10-3-5-11(6-4-10)12-7-8-13(17-9-12)18-14(15)16/h7-13,18H,2-6H2,1H3;6-12,17H,2-5H2,1H3;5-11,16H,2-4H2,1H3;4-10,15H,2-3H2,1H3;3-9,14H,2H2,1H3;3-9,14H,2H2,1H3
InChIKeyUAXJFVUTHWINHX-UHFFFAOYSA-N
MW1651.83 g/mol
LogP27.21
Rot. Bonds35

About 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine

5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine (PubChem CID 173372521) has the molecular formula C94H98F12N6O7 and a molecular weight of 1651.83 g/mol. Its IUPAC name is 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine.

Molecular Properties

Compound Name5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine
PubChem CID173372521
Molecular FormulaC94H98F12N6O7
Molecular Weight1651.83 g/mol
Exact Mass1650.73
IUPAC Name5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine
SMILESCCCCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCOc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCc1ccc(-c2ccc(OC(F)F)nc2)cc1
InChIInChI=1S/C18H21F2NO.C17H19F2NO.C16H17F2NO.C15H15F2NO.C14H13F2NO2.C14H13F2NO/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(21-13-16)22-18(19)20;1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(20-12-15)21-17(18)19;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(19-11-14)20-16(17)18;1-2-3-11-4-6-12(7-5-11)13-8-9-14(18-10-13)19-15(16)17;1-2-18-12-6-3-10(4-7-12)11-5-8-13(17-9-11)19-14(15)16;1-2-10-3-5-11(6-4-10)12-7-8-13(17-9-12)18-14(15)16/h7-13,18H,2-6H2,1H3;6-12,17H,2-5H2,1H3;5-11,16H,2-4H2,1H3;4-10,15H,2-3H2,1H3;3-9,14H,2H2,1H3;3-9,14H,2H2,1H3
InChIKeyUAXJFVUTHWINHX-UHFFFAOYSA-N
XLogP27.21
TPSA141.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001651.83
LogP ≤ 527.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine?
The IUPAC name of 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine (CID 173372521) is 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine.
What is the SMILES notation for 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine?
The canonical SMILES for 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine is CCCCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCCc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCOc1ccc(-c2ccc(OC(F)F)nc2)cc1.CCc1ccc(-c2ccc(OC(F)F)nc2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine?
The InChIKey is UAXJFVUTHWINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO.C17H19F2NO.C16H17F2NO.C15H15F2NO.C14H13F2NO2.C14H13F2NO/c1-2-3-4-5-6-14-7-9-15(10-8-14)16-11-12-17(21-13-16)22-18(19)20;1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(20-12-15)21-17(18)19;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(19-11-14)20-16(17)18;1-2-3-11-4-6-12(7-5-11)13-8-9-14(18-10-13)19-15(16)17;1-2-18-12-6-3-10(4-7-12)11-5-8-13(17-9-11)19-14(15)16;1-2-10-3-5-11(6-4-10)12-7-8-13(17-9-12)18-14(15)16/h7-13,18H,2-6H2,1H3;6-12,17H,2-5H2,1H3;5-11,16H,2-4H2,1H3;4-10,15H,2-3H2,1H3;3-9,14H,2H2,1H3;3-9,14H,2H2,1H3.
What are the key properties of 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine?
5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine has a molecular weight of 1651.83 g/mol, XLogP of 27.21, 35 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-2-(difluoromethoxy)pyridine;2-(difluoromethoxy)-5-(4-ethoxyphenyl)pyridine;2-(difluoromethoxy)-5-(4-ethylphenyl)pyridine;2-(difluoromethoxy)-5-(4-hexylphenyl)pyridine;2-(difluoromethoxy)-5-(4-pentylphenyl)pyridine;2-(difluoromethoxy)-5-(4-propylphenyl)pyridine is sourced from PubChem (CID 173372521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).