5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine

C62H60F12N4O4 — CID 173372486

IUPAC5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine
SMILESCCCCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1
InChIInChI=1S/C17H18F3NO.C16H16F3NO.C15H14F3NO.C14H12F3NO/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(21-12-15)22-17(18,19)20;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)21-16(17,18)19;1-2-3-11-4-6-12(7-5-11)13-8-9-14(19-10-13)20-15(16,17)18;1-2-10-3-5-11(6-4-10)12-7-8-13(18-9-12)19-14(15,16)17/h6-12H,2-5H2,1H3;5-11H,2-4H2,1H3;4-10H,2-3H2,1H3;3-9H,2H2,1H3
InChIKeyUUKRZHSIOXJWKQ-UHFFFAOYSA-N
MW1153.16 g/mol
LogP19.18
Rot. Bonds18

About 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine

5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine (PubChem CID 173372486) has the molecular formula C62H60F12N4O4 and a molecular weight of 1153.16 g/mol. Its IUPAC name is 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine
PubChem CID173372486
Molecular FormulaC62H60F12N4O4
Molecular Weight1153.16 g/mol
Exact Mass1152.44
IUPAC Name5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine
SMILESCCCCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1
InChIInChI=1S/C17H18F3NO.C16H16F3NO.C15H14F3NO.C14H12F3NO/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(21-12-15)22-17(18,19)20;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)21-16(17,18)19;1-2-3-11-4-6-12(7-5-11)13-8-9-14(19-10-13)20-15(16,17)18;1-2-10-3-5-11(6-4-10)12-7-8-13(18-9-12)19-14(15,16)17/h6-12H,2-5H2,1H3;5-11H,2-4H2,1H3;4-10H,2-3H2,1H3;3-9H,2H2,1H3
InChIKeyUUKRZHSIOXJWKQ-UHFFFAOYSA-N
XLogP19.18
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.16
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine?
The IUPAC name of 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine (CID 173372486) is 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine is CCCCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.CCc1ccc(-c2ccc(OC(F)(F)F)nc2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine?
The InChIKey is UUKRZHSIOXJWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO.C16H16F3NO.C15H14F3NO.C14H12F3NO/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(21-12-15)22-17(18,19)20;1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(20-11-14)21-16(17,18)19;1-2-3-11-4-6-12(7-5-11)13-8-9-14(19-10-13)20-15(16,17)18;1-2-10-3-5-11(6-4-10)12-7-8-13(18-9-12)19-14(15,16)17/h6-12H,2-5H2,1H3;5-11H,2-4H2,1H3;4-10H,2-3H2,1H3;3-9H,2H2,1H3.
What are the key properties of 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine?
5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine has a molecular weight of 1153.16 g/mol, XLogP of 19.18, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-ethylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-pentylphenyl)-2-(trifluoromethoxy)pyridine;5-(4-propylphenyl)-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 173372486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).