2-(methylamino)pyridine-4-carboxylic acid

C7H8N2O2 — CID 6484235

IUPAC2-(methylamino)pyridine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C7H8N2O2/c1-8-6-4-5(7(10)11)2-3-9-6/h2-4H,1H3,(H,8,9)(H,10,11)
InChIKeyAEVQBYDPFDRIGG-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.82
Rot. Bonds2

About 2-(methylamino)pyridine-4-carboxylic acid

2-(methylamino)pyridine-4-carboxylic acid (PubChem CID 6484235) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(methylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)pyridine-4-carboxylic acid
PubChem CID6484235
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(methylamino)pyridine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C7H8N2O2/c1-8-6-4-5(7(10)11)2-3-9-6/h2-4H,1H3,(H,8,9)(H,10,11)
InChIKeyAEVQBYDPFDRIGG-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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(methylamino)pyridine-4-carboxylic acid (CID 6484235) is 2-(methylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(methylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(methylamino)pyridine-4-carboxylic acid is CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(methylamino)pyridine-4-carboxylic acid?
The InChIKey is AEVQBYDPFDRIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-8-6-4-5(7(10)11)2-3-9-6/h2-4H,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(methylamino)pyridine-4-carboxylic acid?
2-(methylamino)pyridine-4-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 2-(methylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 6484235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).