5-(methylamino)pyridine-3-carboxylic acid

C7H8N2O2 — CID 2050103

IUPAC5-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1cncc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2/c1-8-6-2-5(7(10)11)3-9-4-6/h2-4,8H,1H3,(H,10,11)
InChIKeyXZSWHQCDTYJZJA-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.82
Rot. Bonds2

About 5-(methylamino)pyridine-3-carboxylic acid

5-(methylamino)pyridine-3-carboxylic acid (PubChem CID 2050103) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-(methylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(methylamino)pyridine-3-carboxylic acid
PubChem CID2050103
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1cncc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2/c1-8-6-2-5(7(10)11)3-9-4-6/h2-4,8H,1H3,(H,10,11)
InChIKeyXZSWHQCDTYJZJA-UHFFFAOYSA-N
XLogP0.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(methylamino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(methylamino)pyridine-3-carboxylic acid (CID 2050103) is 5-(methylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(methylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(methylamino)pyridine-3-carboxylic acid is CNc1cncc(C(=O)O)c1.
What is the InChIKey of 5-(methylamino)pyridine-3-carboxylic acid?
The InChIKey is XZSWHQCDTYJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-8-6-2-5(7(10)11)3-9-4-6/h2-4,8H,1H3,(H,10,11).
What are the key properties of 5-(methylamino)pyridine-3-carboxylic acid?
5-(methylamino)pyridine-3-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 2050103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).