5-aminopyridine-3-carboxylate

C6H5N2O2- — CID 5081326

IUPAC5-aminopyridine-3-carboxylate
SMILESNc1cncc(C(=O)[O-])c1
InChIInChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)/p-1
InChIKeyBYIORJAACCWFPU-UHFFFAOYSA-M
MW137.12 g/mol
LogP-0.97
Rot. Bonds1

About 5-aminopyridine-3-carboxylate

5-aminopyridine-3-carboxylate (PubChem CID 5081326) has the molecular formula C6H5N2O2- and a molecular weight of 137.12 g/mol. Its IUPAC name is 5-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name5-aminopyridine-3-carboxylate
PubChem CID5081326
Molecular FormulaC6H5N2O2-
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name5-aminopyridine-3-carboxylate
SMILESNc1cncc(C(=O)[O-])c1
InChIInChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)/p-1
InChIKeyBYIORJAACCWFPU-UHFFFAOYSA-M
XLogP-0.97
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-3-carboxylate?
The IUPAC name of 5-aminopyridine-3-carboxylate (CID 5081326) is 5-aminopyridine-3-carboxylate.
What is the SMILES notation for 5-aminopyridine-3-carboxylate?
The canonical SMILES for 5-aminopyridine-3-carboxylate is Nc1cncc(C(=O)[O-])c1.
What is the InChIKey of 5-aminopyridine-3-carboxylate?
The InChIKey is BYIORJAACCWFPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,7H2,(H,9,10)/p-1.
What are the key properties of 5-aminopyridine-3-carboxylate?
5-aminopyridine-3-carboxylate has a molecular weight of 137.12 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-3-carboxylate is sourced from PubChem (CID 5081326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).