6-chloro-[1,3]oxazolo[5,4-b]pyridine

C6H3ClN2O — CID 55252688

IUPAC6-chloro-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1cnc2ocnc2c1
InChIInChI=1S/C6H3ClN2O/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H
InChIKeyOPUYPVMWZSKEGC-UHFFFAOYSA-N
MW154.56 g/mol
LogP1.88
Rot. Bonds

About 6-chloro-[1,3]oxazolo[5,4-b]pyridine

6-chloro-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 55252688) has the molecular formula C6H3ClN2O and a molecular weight of 154.56 g/mol. Its IUPAC name is 6-chloro-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-[1,3]oxazolo[5,4-b]pyridine
PubChem CID55252688
Molecular FormulaC6H3ClN2O
Molecular Weight154.56 g/mol
Exact Mass153.99
IUPAC Name6-chloro-[1,3]oxazolo[5,4-b]pyridine
SMILESClc1cnc2ocnc2c1
InChIInChI=1S/C6H3ClN2O/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H
InChIKeyOPUYPVMWZSKEGC-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.56
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-chloro-[1,3]oxazolo[5,4-b]pyridine (CID 55252688) is 6-chloro-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-chloro-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-chloro-[1,3]oxazolo[5,4-b]pyridine is Clc1cnc2ocnc2c1.
What is the InChIKey of 6-chloro-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is OPUYPVMWZSKEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H.
What are the key properties of 6-chloro-[1,3]oxazolo[5,4-b]pyridine?
6-chloro-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 154.56 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 55252688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).