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

C14H11NO5 — CID 102499907

IUPAC4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1
InChIInChI=1S/C14H11NO5/c1-20-10-4-2-8(3-5-10)9-6-11(13(16)17)15-12(7-9)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyDTHXIXSONWAIPQ-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.15
Rot. Bonds4

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

4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid (PubChem CID 102499907) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid
PubChem CID102499907
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1
InChIInChI=1S/C14H11NO5/c1-20-10-4-2-8(3-5-10)9-6-11(13(16)17)15-12(7-9)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyDTHXIXSONWAIPQ-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-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid (CID 102499907) is 4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid is COc1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
The InChIKey is DTHXIXSONWAIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-10-4-2-8(3-5-10)9-6-11(13(16)17)15-12(7-9)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid?
4-(4-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-(4-methoxyphenyl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 102499907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).