4-(methylamino)pyridine-2-carboxylic acid

C7H8N2O2 — CID 2050133

IUPAC4-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2/c1-8-5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)
InChIKeyDGQGIUNYNBRAKU-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.82
Rot. Bonds2

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

4-(methylamino)pyridine-2-carboxylic acid (PubChem CID 2050133) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-(methylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(methylamino)pyridine-2-carboxylic acid
PubChem CID2050133
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-(methylamino)pyridine-2-carboxylic acid
SMILESCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C7H8N2O2/c1-8-5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)
InChIKeyDGQGIUNYNBRAKU-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 4-(methylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(methylamino)pyridine-2-carboxylic acid (CID 2050133) is 4-(methylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(methylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(methylamino)pyridine-2-carboxylic acid is CNc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(methylamino)pyridine-2-carboxylic acid?
The InChIKey is DGQGIUNYNBRAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-8-5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,8,9)(H,10,11).
What are the key properties of 4-(methylamino)pyridine-2-carboxylic acid?
4-(methylamino)pyridine-2-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 4-(methylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 2050133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).