6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid

C14H11NO5 — CID 16637669

IUPAC6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(C(=O)O)n2)cc1
InChIInChI=1S/C14H11NO5/c1-20-9-4-2-8(3-5-9)11-7-6-10(13(16)17)12(15-11)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyPUGSGOBJOQENEM-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.15
Rot. Bonds4

About 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid

6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid (PubChem CID 16637669) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
PubChem CID16637669
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)c(C(=O)O)n2)cc1
InChIInChI=1S/C14H11NO5/c1-20-9-4-2-8(3-5-9)11-7-6-10(13(16)17)12(15-11)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyPUGSGOBJOQENEM-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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Related Compounds

2-(4-methoxyphenyl)quinoline-8-carboxylic acid
CID 125495985
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
sodium 6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylate
CID 155928034
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
CID 19911004
2-chloro-6-(4-methoxyphenyl)pyridine-3-carboxamide;ethane
CID 145017918
5-acetyl-2-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82170327
[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 83571284
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252602
2-iodo-4-(4-methoxyphenyl)-3-methylbenzoic acid
CID 67513118
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid
CID 21004485

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid (CID 16637669) is 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid is COc1ccc(-c2ccc(C(=O)O)c(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
The InChIKey is PUGSGOBJOQENEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c1-20-9-4-2-8(3-5-9)11-7-6-10(13(16)17)12(15-11)14(18)19/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid?
6-(4-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-(4-methoxyphenyl)pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 16637669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).