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

C16H15NO7 — CID 23052248

IUPAC4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESCOc1cc(OC)c(-c2cc(C(=O)O)nc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C16H15NO7/c1-22-9-6-12(23-2)14(13(7-9)24-3)8-4-10(15(18)19)17-11(5-8)16(20)21/h4-7H,1-3H3,(H,18,19)(H,20,21)
InChIKeyPTJSONGRPQPWSR-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.17
Rot. Bonds6

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

4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid (PubChem CID 23052248) has the molecular formula C16H15NO7 and a molecular weight of 333.30 g/mol. Its IUPAC name is 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid
PubChem CID23052248
Molecular FormulaC16H15NO7
Molecular Weight333.30 g/mol
Exact Mass333.08
IUPAC Name4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESCOc1cc(OC)c(-c2cc(C(=O)O)nc(C(=O)O)c2)c(OC)c1
InChIInChI=1S/C16H15NO7/c1-22-9-6-12(23-2)14(13(7-9)24-3)8-4-10(15(18)19)17-11(5-8)16(20)21/h4-7H,1-3H3,(H,18,19)(H,20,21)
InChIKeyPTJSONGRPQPWSR-UHFFFAOYSA-N
XLogP2.17
TPSA115.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid (CID 23052248) is 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid is COc1cc(OC)c(-c2cc(C(=O)O)nc(C(=O)O)c2)c(OC)c1.
What is the InChIKey of 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid?
The InChIKey is PTJSONGRPQPWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO7/c1-22-9-6-12(23-2)14(13(7-9)24-3)8-4-10(15(18)19)17-11(5-8)16(20)21/h4-7H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid?
4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid has a molecular weight of 333.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethoxyphenyl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 23052248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).