3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid

C9H7ClN2O3 — CID 83892644

IUPAC3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncc(Cl)cc2o1
InChIInChI=1S/C9H7ClN2O3/c10-5-3-6-9(11-4-5)12-7(15-6)1-2-8(13)14/h3-4H,1-2H2,(H,13,14)
InChIKeyXANKHBIRJCAULA-UHFFFAOYSA-N
MW226.62 g/mol
LogP1.89
Rot. Bonds3

About 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid

3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid (PubChem CID 83892644) has the molecular formula C9H7ClN2O3 and a molecular weight of 226.62 g/mol. Its IUPAC name is 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
PubChem CID83892644
Molecular FormulaC9H7ClN2O3
Molecular Weight226.62 g/mol
Exact Mass226.01
IUPAC Name3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncc(Cl)cc2o1
InChIInChI=1S/C9H7ClN2O3/c10-5-3-6-9(11-4-5)12-7(15-6)1-2-8(13)14/h3-4H,1-2H2,(H,13,14)
InChIKeyXANKHBIRJCAULA-UHFFFAOYSA-N
XLogP1.89
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid (CID 83892644) is 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid is O=C(O)CCc1nc2ncc(Cl)cc2o1.
What is the InChIKey of 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The InChIKey is XANKHBIRJCAULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3/c10-5-3-6-9(11-4-5)12-7(15-6)1-2-8(13)14/h3-4H,1-2H2,(H,13,14).
What are the key properties of 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid has a molecular weight of 226.62 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 83892644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).