6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid

C25H19FN2O3 — CID 66799839

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1ccccc1)c1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H19FN2O3/c1-28(19-5-3-2-4-6-19)20-15-23(27-24(16-20)25(29)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H,29,30)
InChIKeyAAXCDNZPSDRTGR-UHFFFAOYSA-N
MW414.44 g/mol
LogP6.15
Rot. Bonds6

About 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid

6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid (PubChem CID 66799839) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid
PubChem CID66799839
Molecular FormulaC25H19FN2O3
Molecular Weight414.44 g/mol
Exact Mass414.14
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1ccccc1)c1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H19FN2O3/c1-28(19-5-3-2-4-6-19)20-15-23(27-24(16-20)25(29)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H,29,30)
InChIKeyAAXCDNZPSDRTGR-UHFFFAOYSA-N
XLogP6.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid (CID 66799839) is 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid is CN(c1ccccc1)c1cc(C(=O)O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is AAXCDNZPSDRTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3/c1-28(19-5-3-2-4-6-19)20-15-23(27-24(16-20)25(29)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H,29,30).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid?
6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid has a molecular weight of 414.44 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 66799839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).