5-methoxycarbonyloxypyridine-3-carboxylic acid

C8H7NO5 — CID 770217

IUPAC5-methoxycarbonyloxypyridine-3-carboxylic acid
SMILESCOC(=O)Oc1cncc(C(=O)O)c1
InChIInChI=1S/C8H7NO5/c1-13-8(12)14-6-2-5(7(10)11)3-9-4-6/h2-4H,1H3,(H,10,11)
InChIKeyUHQIMAWIOIZAJR-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.93
Rot. Bonds2

About 5-methoxycarbonyloxypyridine-3-carboxylic acid

5-methoxycarbonyloxypyridine-3-carboxylic acid (PubChem CID 770217) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 5-methoxycarbonyloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonyloxypyridine-3-carboxylic acid
PubChem CID770217
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name5-methoxycarbonyloxypyridine-3-carboxylic acid
SMILESCOC(=O)Oc1cncc(C(=O)O)c1
InChIInChI=1S/C8H7NO5/c1-13-8(12)14-6-2-5(7(10)11)3-9-4-6/h2-4H,1H3,(H,10,11)
InChIKeyUHQIMAWIOIZAJR-UHFFFAOYSA-N
XLogP0.93
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonyloxypyridine-3-carboxylic acid?
The IUPAC name of 5-methoxycarbonyloxypyridine-3-carboxylic acid (CID 770217) is 5-methoxycarbonyloxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonyloxypyridine-3-carboxylic acid?
The canonical SMILES for 5-methoxycarbonyloxypyridine-3-carboxylic acid is COC(=O)Oc1cncc(C(=O)O)c1.
What is the InChIKey of 5-methoxycarbonyloxypyridine-3-carboxylic acid?
The InChIKey is UHQIMAWIOIZAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c1-13-8(12)14-6-2-5(7(10)11)3-9-4-6/h2-4H,1H3,(H,10,11).
What are the key properties of 5-methoxycarbonyloxypyridine-3-carboxylic acid?
5-methoxycarbonyloxypyridine-3-carboxylic acid has a molecular weight of 197.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonyloxypyridine-3-carboxylic acid is sourced from PubChem (CID 770217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).