3-(carboxymethyl)pyridine-2-carboxylic acid

C8H7NO4 — CID 3080554

IUPAC3-(carboxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)Cc1cccnc1C(=O)O
InChIInChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKeyHQPMJFFEXJELOQ-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.41
Rot. Bonds3

About 3-(carboxymethyl)pyridine-2-carboxylic acid

3-(carboxymethyl)pyridine-2-carboxylic acid (PubChem CID 3080554) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 3-(carboxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethyl)pyridine-2-carboxylic acid
PubChem CID3080554
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name3-(carboxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)Cc1cccnc1C(=O)O
InChIInChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKeyHQPMJFFEXJELOQ-UHFFFAOYSA-N
XLogP0.41
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(carboxymethyl)pyridine-2-carboxylic acid (CID 3080554) is 3-(carboxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(carboxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(carboxymethyl)pyridine-2-carboxylic acid is O=C(O)Cc1cccnc1C(=O)O.
What is the InChIKey of 3-(carboxymethyl)pyridine-2-carboxylic acid?
The InChIKey is HQPMJFFEXJELOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c10-6(11)4-5-2-1-3-9-7(5)8(12)13/h1-3H,4H2,(H,10,11)(H,12,13).
What are the key properties of 3-(carboxymethyl)pyridine-2-carboxylic acid?
3-(carboxymethyl)pyridine-2-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 3080554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).