3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

C19H13F2NO3 — CID 59226516

IUPAC3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(OCc3ccccc3)cc2F)ccc1F
InChIInChI=1S/C19H13F2NO3/c20-15-8-9-17(22-18(15)19(23)24)14-7-6-13(10-16(14)21)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24)
InChIKeyIZQVYOYIHJYTCS-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.30
Rot. Bonds5

About 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid

3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 59226516) has the molecular formula C19H13F2NO3 and a molecular weight of 341.31 g/mol. Its IUPAC name is 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
PubChem CID59226516
Molecular FormulaC19H13F2NO3
Molecular Weight341.31 g/mol
Exact Mass341.09
IUPAC Name3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(OCc3ccccc3)cc2F)ccc1F
InChIInChI=1S/C19H13F2NO3/c20-15-8-9-17(22-18(15)19(23)24)14-7-6-13(10-16(14)21)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24)
InChIKeyIZQVYOYIHJYTCS-UHFFFAOYSA-N
XLogP4.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid (CID 59226516) is 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is O=C(O)c1nc(-c2ccc(OCc3ccccc3)cc2F)ccc1F.
What is the InChIKey of 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is IZQVYOYIHJYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3/c20-15-8-9-17(22-18(15)19(23)24)14-7-6-13(10-16(14)21)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,23,24).
What are the key properties of 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid?
3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 341.31 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-(2-fluoro-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 59226516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).