2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine

C6H2Cl2N2O — CID 84661804

IUPAC2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc2oc(Cl)nc2n1
InChIInChI=1S/C6H2Cl2N2O/c7-4-2-1-3-5(9-4)10-6(8)11-3/h1-2H
InChIKeyAQOJXSNKUOPJTJ-UHFFFAOYSA-N
MW189.00 g/mol
LogP2.53
Rot. Bonds

About 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine

2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 84661804) has the molecular formula C6H2Cl2N2O and a molecular weight of 189.00 g/mol. Its IUPAC name is 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine
PubChem CID84661804
Molecular FormulaC6H2Cl2N2O
Molecular Weight189.00 g/mol
Exact Mass187.95
IUPAC Name2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc2oc(Cl)nc2n1
InChIInChI=1S/C6H2Cl2N2O/c7-4-2-1-3-5(9-4)10-6(8)11-3/h1-2H
InChIKeyAQOJXSNKUOPJTJ-UHFFFAOYSA-N
XLogP2.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.00
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine (CID 84661804) is 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine is Clc1ccc2oc(Cl)nc2n1.
What is the InChIKey of 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is AQOJXSNKUOPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2O/c7-4-2-1-3-5(9-4)10-6(8)11-3/h1-2H.
What are the key properties of 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine?
2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 189.00 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 84661804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).