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

C8H8N2O4 — CID 23422804

IUPAC4-(methylamino)pyridine-2,6-dicarboxylic acid
SMILESCNc1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C8H8N2O4/c1-9-4-2-5(7(11)12)10-6(3-4)8(13)14/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyPCDWMZCDMDKBCH-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.52
Rot. Bonds3

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

4-(methylamino)pyridine-2,6-dicarboxylic acid (PubChem CID 23422804) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-(methylamino)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(methylamino)pyridine-2,6-dicarboxylic acid
PubChem CID23422804
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name4-(methylamino)pyridine-2,6-dicarboxylic acid
SMILESCNc1cc(C(=O)O)nc(C(=O)O)c1
InChIInChI=1S/C8H8N2O4/c1-9-4-2-5(7(11)12)10-6(3-4)8(13)14/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyPCDWMZCDMDKBCH-UHFFFAOYSA-N
XLogP0.52
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(methylamino)pyridine-2,6-dicarboxylic acid (CID 23422804) is 4-(methylamino)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(methylamino)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(methylamino)pyridine-2,6-dicarboxylic acid is CNc1cc(C(=O)O)nc(C(=O)O)c1.
What is the InChIKey of 4-(methylamino)pyridine-2,6-dicarboxylic acid?
The InChIKey is PCDWMZCDMDKBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-9-4-2-5(7(11)12)10-6(3-4)8(13)14/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 4-(methylamino)pyridine-2,6-dicarboxylic acid?
4-(methylamino)pyridine-2,6-dicarboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 23422804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).