6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid

C14H11NO5 — CID 10923717

IUPAC6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)c(C(=O)O)n1
InChIInChI=1S/C14H11NO5/c1-20-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(15-10)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyLDIFVOXQCHKTJE-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.15
Rot. Bonds4

About 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid

6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid (PubChem CID 10923717) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
PubChem CID10923717
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)c(C(=O)O)n1
InChIInChI=1S/C14H11NO5/c1-20-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(15-10)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyLDIFVOXQCHKTJE-UHFFFAOYSA-N
XLogP2.15
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
The IUPAC name of 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid (CID 10923717) is 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid is COc1ccccc1-c1ccc(C(=O)O)c(C(=O)O)n1.
What is the InChIKey of 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
The InChIKey is LDIFVOXQCHKTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-11-5-3-2-4-8(11)10-7-6-9(13(16)17)12(15-10)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid has a molecular weight of 273.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 10923717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).