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

C6H2ClN3O3 — CID 105452506

IUPAC2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cnc2nc(Cl)oc2c1
InChIInChI=1S/C6H2ClN3O3/c7-6-9-5-4(13-6)1-3(2-8-5)10(11)12/h1-2H
InChIKeyGKLZTNJBEJCPAD-UHFFFAOYSA-N
MW199.55 g/mol
LogP1.78
Rot. Bonds1

About 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine

2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 105452506) has the molecular formula C6H2ClN3O3 and a molecular weight of 199.55 g/mol. Its IUPAC name is 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine
PubChem CID105452506
Molecular FormulaC6H2ClN3O3
Molecular Weight199.55 g/mol
Exact Mass198.98
IUPAC Name2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine
SMILESO=[N+]([O-])c1cnc2nc(Cl)oc2c1
InChIInChI=1S/C6H2ClN3O3/c7-6-9-5-4(13-6)1-3(2-8-5)10(11)12/h1-2H
InChIKeyGKLZTNJBEJCPAD-UHFFFAOYSA-N
XLogP1.78
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.55
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine (CID 105452506) is 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine is O=[N+]([O-])c1cnc2nc(Cl)oc2c1.
What is the InChIKey of 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is GKLZTNJBEJCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClN3O3/c7-6-9-5-4(13-6)1-3(2-8-5)10(11)12/h1-2H.
What are the key properties of 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine?
2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 199.55 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 105452506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).