6-methoxy-5-phenylpyridine-3-carboxylic acid

C13H11NO3 — CID 46315030

IUPAC6-methoxy-5-phenylpyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C13H11NO3/c1-17-12-11(9-5-3-2-4-6-9)7-10(8-14-12)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyLXQGMLKPVPDFFS-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.46
Rot. Bonds3

About 6-methoxy-5-phenylpyridine-3-carboxylic acid

6-methoxy-5-phenylpyridine-3-carboxylic acid (PubChem CID 46315030) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-methoxy-5-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-phenylpyridine-3-carboxylic acid
PubChem CID46315030
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name6-methoxy-5-phenylpyridine-3-carboxylic acid
SMILESCOc1ncc(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C13H11NO3/c1-17-12-11(9-5-3-2-4-6-9)7-10(8-14-12)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyLXQGMLKPVPDFFS-UHFFFAOYSA-N
XLogP2.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-phenylpyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-5-phenylpyridine-3-carboxylic acid (CID 46315030) is 6-methoxy-5-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-5-phenylpyridine-3-carboxylic acid is COc1ncc(C(=O)O)cc1-c1ccccc1.
What is the InChIKey of 6-methoxy-5-phenylpyridine-3-carboxylic acid?
The InChIKey is LXQGMLKPVPDFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-17-12-11(9-5-3-2-4-6-9)7-10(8-14-12)13(15)16/h2-8H,1H3,(H,15,16).
What are the key properties of 6-methoxy-5-phenylpyridine-3-carboxylic acid?
6-methoxy-5-phenylpyridine-3-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 46315030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).