4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid

C14H6FN3O4 — CID 123174719

IUPAC4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
SMILESN#Cc1nc(C(=O)O)c(O)c2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H6FN3O4/c15-7-3-1-6(2-4-7)10-9-8(5-16)17-11(14(20)21)12(19)13(9)22-18-10/h1-4,19H,(H,20,21)
InChIKeyFZLYPXJSJCFLLK-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.30
Rot. Bonds2

About 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid

4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 123174719) has the molecular formula C14H6FN3O4 and a molecular weight of 299.22 g/mol. Its IUPAC name is 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
PubChem CID123174719
Molecular FormulaC14H6FN3O4
Molecular Weight299.22 g/mol
Exact Mass299.03
IUPAC Name4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
SMILESN#Cc1nc(C(=O)O)c(O)c2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C14H6FN3O4/c15-7-3-1-6(2-4-7)10-9-8(5-16)17-11(14(20)21)12(19)13(9)22-18-10/h1-4,19H,(H,20,21)
InChIKeyFZLYPXJSJCFLLK-UHFFFAOYSA-N
XLogP2.30
TPSA120.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid (CID 123174719) is 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid is N#Cc1nc(C(=O)O)c(O)c2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is FZLYPXJSJCFLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6FN3O4/c15-7-3-1-6(2-4-7)10-9-8(5-16)17-11(14(20)21)12(19)13(9)22-18-10/h1-4,19H,(H,20,21).
What are the key properties of 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 299.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-(4-fluorophenyl)-7-hydroxy-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 123174719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).