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

C25H19FN2O3 — CID 66799523

IUPAC4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(=O)O)n1
InChIInChI=1S/C25H19FN2O3/c1-28(20-5-3-2-4-6-20)24-16-18(15-23(27-24)25(29)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H,29,30)
InChIKeyCJLQZBBQDNYGCJ-UHFFFAOYSA-N
MW414.44 g/mol
LogP6.15
Rot. Bonds6

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

4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid (PubChem CID 66799523) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid
PubChem CID66799523
Molecular FormulaC25H19FN2O3
Molecular Weight414.44 g/mol
Exact Mass414.14
IUPAC Name4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(=O)O)n1
InChIInChI=1S/C25H19FN2O3/c1-28(20-5-3-2-4-6-20)24-16-18(15-23(27-24)25(29)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H,29,30)
InChIKeyCJLQZBBQDNYGCJ-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 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid (CID 66799523) is 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid is CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(=O)O)n1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid?
The InChIKey is CJLQZBBQDNYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3/c1-28(20-5-3-2-4-6-20)24-16-18(15-23(27-24)25(29)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H,29,30).
What are the key properties of 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid?
4-[4-(4-fluorophenoxy)phenyl]-6-(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 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 66799523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).