3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid

C12H8N2O4 — CID 54336415

IUPAC3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid
SMILESO=C(Oc1cccnc1C(=O)O)c1ccccn1
InChIInChI=1S/C12H8N2O4/c15-11(16)10-9(5-3-7-14-10)18-12(17)8-4-1-2-6-13-8/h1-7H,(H,15,16)
InChIKeyZOROECIWWLDWTR-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.39
Rot. Bonds3

About 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid

3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid (PubChem CID 54336415) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid
PubChem CID54336415
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid
SMILESO=C(Oc1cccnc1C(=O)O)c1ccccn1
InChIInChI=1S/C12H8N2O4/c15-11(16)10-9(5-3-7-14-10)18-12(17)8-4-1-2-6-13-8/h1-7H,(H,15,16)
InChIKeyZOROECIWWLDWTR-UHFFFAOYSA-N
XLogP1.39
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid (CID 54336415) is 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid is O=C(Oc1cccnc1C(=O)O)c1ccccn1.
What is the InChIKey of 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid?
The InChIKey is ZOROECIWWLDWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-11(16)10-9(5-3-7-14-10)18-12(17)8-4-1-2-6-13-8/h1-7H,(H,15,16).
What are the key properties of 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid?
3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-2-carbonyloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 54336415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).