(2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate

C7H4FNO6 — CID 67626410

IUPAC(2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate
SMILESO=C(O)Oc1cc(F)cnc1OC(=O)O
InChIInChI=1S/C7H4FNO6/c8-3-1-4(14-6(10)11)5(9-2-3)15-7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyGDWNJXVCCGTGED-UHFFFAOYSA-N
MW217.11 g/mol
LogP1.33
Rot. Bonds2

About (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate

(2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate (PubChem CID 67626410) has the molecular formula C7H4FNO6 and a molecular weight of 217.11 g/mol. Its IUPAC name is (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate
PubChem CID67626410
Molecular FormulaC7H4FNO6
Molecular Weight217.11 g/mol
Exact Mass217.00
IUPAC Name(2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate
SMILESO=C(O)Oc1cc(F)cnc1OC(=O)O
InChIInChI=1S/C7H4FNO6/c8-3-1-4(14-6(10)11)5(9-2-3)15-7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyGDWNJXVCCGTGED-UHFFFAOYSA-N
XLogP1.33
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate?
The IUPAC name of (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate (CID 67626410) is (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate.
What is the SMILES notation for (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate?
The canonical SMILES for (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate is O=C(O)Oc1cc(F)cnc1OC(=O)O.
What is the InChIKey of (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate?
The InChIKey is GDWNJXVCCGTGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO6/c8-3-1-4(14-6(10)11)5(9-2-3)15-7(12)13/h1-2H,(H,10,11)(H,12,13).
What are the key properties of (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate?
(2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate has a molecular weight of 217.11 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxyoxy-5-fluoro-3-pyridinyl) hydrogen carbonate is sourced from PubChem (CID 67626410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).