5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid

C25H17F2NO2 — CID 21333368

IUPAC5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cccc(-c3ccc(F)cc3)c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C25H17F2NO2/c26-20-9-5-17(6-10-20)22-3-1-2-19(24(22)18-7-11-21(27)12-8-18)14-16-4-13-23(25(29)30)28-15-16/h1-13,15H,14H2,(H,29,30)
InChIKeyHOGJLTDCGGAZRE-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.98
Rot. Bonds5

About 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid

5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid (PubChem CID 21333368) has the molecular formula C25H17F2NO2 and a molecular weight of 401.41 g/mol. Its IUPAC name is 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid
PubChem CID21333368
Molecular FormulaC25H17F2NO2
Molecular Weight401.41 g/mol
Exact Mass401.12
IUPAC Name5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cccc(-c3ccc(F)cc3)c2-c2ccc(F)cc2)cn1
InChIInChI=1S/C25H17F2NO2/c26-20-9-5-17(6-10-20)22-3-1-2-19(24(22)18-7-11-21(27)12-8-18)14-16-4-13-23(25(29)30)28-15-16/h1-13,15H,14H2,(H,29,30)
InChIKeyHOGJLTDCGGAZRE-UHFFFAOYSA-N
XLogP5.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.41
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid (CID 21333368) is 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(Cc2cccc(-c3ccc(F)cc3)c2-c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
The InChIKey is HOGJLTDCGGAZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2NO2/c26-20-9-5-17(6-10-20)22-3-1-2-19(24(22)18-7-11-21(27)12-8-18)14-16-4-13-23(25(29)30)28-15-16/h1-13,15H,14H2,(H,29,30).
What are the key properties of 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid has a molecular weight of 401.41 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21333368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).