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

C25H17F2NO2 — CID 21333361

IUPAC5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cccc(-c3ccccc3F)c2-c2ccccc2F)cn1
InChIInChI=1S/C25H17F2NO2/c26-21-10-3-1-7-18(21)19-9-5-6-17(24(19)20-8-2-4-11-22(20)27)14-16-12-13-23(25(29)30)28-15-16/h1-13,15H,14H2,(H,29,30)
InChIKeyADOPFIXDAKFNES-UHFFFAOYSA-N
MW401.41 g/mol
LogP5.98
Rot. Bonds5

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

5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid (PubChem CID 21333361) has the molecular formula C25H17F2NO2 and a molecular weight of 401.41 g/mol. Its IUPAC name is 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid
PubChem CID21333361
Molecular FormulaC25H17F2NO2
Molecular Weight401.41 g/mol
Exact Mass401.12
IUPAC Name5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2cccc(-c3ccccc3F)c2-c2ccccc2F)cn1
InChIInChI=1S/C25H17F2NO2/c26-21-10-3-1-7-18(21)19-9-5-6-17(24(19)20-8-2-4-11-22(20)27)14-16-12-13-23(25(29)30)28-15-16/h1-13,15H,14H2,(H,29,30)
InChIKeyADOPFIXDAKFNES-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(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid (CID 21333361) is 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(Cc2cccc(-c3ccccc3F)c2-c2ccccc2F)cn1.
What is the InChIKey of 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
The InChIKey is ADOPFIXDAKFNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2NO2/c26-21-10-3-1-7-18(21)19-9-5-6-17(24(19)20-8-2-4-11-22(20)27)14-16-12-13-23(25(29)30)28-15-16/h1-13,15H,14H2,(H,29,30).
What are the key properties of 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid?
5-[[2,3-bis(2-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(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 21333361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).