2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid

C26H17F4NO3 — CID 10344512

IUPAC2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2-c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C26H17F4NO3/c27-19-8-5-16(6-9-19)15-34-24-10-7-18(26(28,29)30)14-22(24)20-3-1-2-4-21(20)23-13-17(25(32)33)11-12-31-23/h1-14H,15H2,(H,32,33)
InChIKeyDRVVAKCPZRLSAX-UHFFFAOYSA-N
MW467.42 g/mol
LogP6.85
Rot. Bonds6

About 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid

2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid (PubChem CID 10344512) has the molecular formula C26H17F4NO3 and a molecular weight of 467.42 g/mol. Its IUPAC name is 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid
PubChem CID10344512
Molecular FormulaC26H17F4NO3
Molecular Weight467.42 g/mol
Exact Mass467.11
IUPAC Name2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccc2-c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)c1
InChIInChI=1S/C26H17F4NO3/c27-19-8-5-16(6-9-19)15-34-24-10-7-18(26(28,29)30)14-22(24)20-3-1-2-4-21(20)23-13-17(25(32)33)11-12-31-23/h1-14H,15H2,(H,32,33)
InChIKeyDRVVAKCPZRLSAX-UHFFFAOYSA-N
XLogP6.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.42
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid (CID 10344512) is 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccccc2-c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid?
The InChIKey is DRVVAKCPZRLSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F4NO3/c27-19-8-5-16(6-9-19)15-34-24-10-7-18(26(28,29)30)14-22(24)20-3-1-2-4-21(20)23-13-17(25(32)33)11-12-31-23/h1-14H,15H2,(H,32,33).
What are the key properties of 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid?
2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid has a molecular weight of 467.42 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 10344512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).