6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

C8H4ClF3N2O — CID 83401031

IUPAC6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(Cl)cc(C(F)(F)F)c12
InChIInChI=1S/C8H4ClF3N2O/c1-3-6-4(8(10,11)12)2-5(9)13-7(6)15-14-3/h2H,1H3
InChIKeyTVOUJMTXQBSXQE-UHFFFAOYSA-N
MW236.58 g/mol
LogP3.20
Rot. Bonds

About 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine

6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 83401031) has the molecular formula C8H4ClF3N2O and a molecular weight of 236.58 g/mol. Its IUPAC name is 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID83401031
Molecular FormulaC8H4ClF3N2O
Molecular Weight236.58 g/mol
Exact Mass236.00
IUPAC Name6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(Cl)cc(C(F)(F)F)c12
InChIInChI=1S/C8H4ClF3N2O/c1-3-6-4(8(10,11)12)2-5(9)13-7(6)15-14-3/h2H,1H3
InChIKeyTVOUJMTXQBSXQE-UHFFFAOYSA-N
XLogP3.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.58
LogP ≤ 53.20
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 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine (CID 83401031) is 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(Cl)cc(C(F)(F)F)c12.
What is the InChIKey of 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is TVOUJMTXQBSXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2O/c1-3-6-4(8(10,11)12)2-5(9)13-7(6)15-14-3/h2H,1H3.
What are the key properties of 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine?
6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 236.58 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 83401031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).