6-(methoxymethyl)pyridine-2-carboxylic acid

C8H9NO3 — CID 45082627

IUPAC6-(methoxymethyl)pyridine-2-carboxylic acid
SMILESCOCc1cccc(C(=O)O)n1
InChIInChI=1S/C8H9NO3/c1-12-5-6-3-2-4-7(9-6)8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyBDQUDJXZABWDHW-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.93
Rot. Bonds3

About 6-(methoxymethyl)pyridine-2-carboxylic acid

6-(methoxymethyl)pyridine-2-carboxylic acid (PubChem CID 45082627) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 6-(methoxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(methoxymethyl)pyridine-2-carboxylic acid
PubChem CID45082627
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name6-(methoxymethyl)pyridine-2-carboxylic acid
SMILESCOCc1cccc(C(=O)O)n1
InChIInChI=1S/C8H9NO3/c1-12-5-6-3-2-4-7(9-6)8(10)11/h2-4H,5H2,1H3,(H,10,11)
InChIKeyBDQUDJXZABWDHW-UHFFFAOYSA-N
XLogP0.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(methoxymethyl)pyridine-2-carboxylic acid (CID 45082627) is 6-(methoxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(methoxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(methoxymethyl)pyridine-2-carboxylic acid is COCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(methoxymethyl)pyridine-2-carboxylic acid?
The InChIKey is BDQUDJXZABWDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-5-6-3-2-4-7(9-6)8(10)11/h2-4H,5H2,1H3,(H,10,11).
What are the key properties of 6-(methoxymethyl)pyridine-2-carboxylic acid?
6-(methoxymethyl)pyridine-2-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 45082627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).