6-phenoxypyridine-3-carboxylic acid

C12H9NO3 — CID 2776497

IUPAC6-phenoxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C12H9NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
InChIKeyGFEUNYLQJDQNAN-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.57
Rot. Bonds3

About 6-phenoxypyridine-3-carboxylic acid

6-phenoxypyridine-3-carboxylic acid (PubChem CID 2776497) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-phenoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-phenoxypyridine-3-carboxylic acid
PubChem CID2776497
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name6-phenoxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C12H9NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15)
InChIKeyGFEUNYLQJDQNAN-UHFFFAOYSA-N
XLogP2.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxypyridine-3-carboxylic acid?
The IUPAC name of 6-phenoxypyridine-3-carboxylic acid (CID 2776497) is 6-phenoxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-phenoxypyridine-3-carboxylic acid?
The canonical SMILES for 6-phenoxypyridine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 6-phenoxypyridine-3-carboxylic acid?
The InChIKey is GFEUNYLQJDQNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-12(15)9-6-7-11(13-8-9)16-10-4-2-1-3-5-10/h1-8H,(H,14,15).
What are the key properties of 6-phenoxypyridine-3-carboxylic acid?
6-phenoxypyridine-3-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxypyridine-3-carboxylic acid is sourced from PubChem (CID 2776497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).