4-aminopyridine-2-carboxylic acid

C6H6N2O2 — CID 2050132

IUPAC4-aminopyridine-2-carboxylic acid
SMILESNc1ccnc(C(=O)O)c1
InChIInChI=1S/C6H6N2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKeyJRZBTJVSAANBEV-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.36
Rot. Bonds1

About 4-aminopyridine-2-carboxylic acid

4-aminopyridine-2-carboxylic acid (PubChem CID 2050132) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4-aminopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-aminopyridine-2-carboxylic acid
PubChem CID2050132
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name4-aminopyridine-2-carboxylic acid
SMILESNc1ccnc(C(=O)O)c1
InChIInChI=1S/C6H6N2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H2,7,8)(H,9,10)
InChIKeyJRZBTJVSAANBEV-UHFFFAOYSA-N
XLogP0.36
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-2-carboxylic acid?
The IUPAC name of 4-aminopyridine-2-carboxylic acid (CID 2050132) is 4-aminopyridine-2-carboxylic acid.
What is the SMILES notation for 4-aminopyridine-2-carboxylic acid?
The canonical SMILES for 4-aminopyridine-2-carboxylic acid is Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-aminopyridine-2-carboxylic acid?
The InChIKey is JRZBTJVSAANBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-4-1-2-8-5(3-4)6(9)10/h1-3H,(H2,7,8)(H,9,10).
What are the key properties of 4-aminopyridine-2-carboxylic acid?
4-aminopyridine-2-carboxylic acid has a molecular weight of 138.13 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyridine-2-carboxylic acid is sourced from PubChem (CID 2050132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).