4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid

C14H11NO5 — CID 12843430

IUPAC4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C14H11NO5/c1-20-12-5-3-2-4-9(12)8-6-10(13(16)17)15-11(7-8)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyUBHPUFMHJPFLIG-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.15
Rot. Bonds4

About 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid

4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid (PubChem CID 12843430) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid
PubChem CID12843430
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESCOc1ccccc1-c1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C14H11NO5/c1-20-12-5-3-2-4-9(12)8-6-10(13(16)17)15-11(7-8)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyUBHPUFMHJPFLIG-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 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid (CID 12843430) is 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid is COc1ccccc1-c1cc(C(=O)O)nc(C(=O)O)c1.
What is the InChIKey of 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
The InChIKey is UBHPUFMHJPFLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-12-5-3-2-4-9(12)8-6-10(13(16)17)15-11(7-8)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
4-(2-methoxyphenyl)pyridine-2,6-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 4-(2-methoxyphenyl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 12843430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).