7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine

C10H10ClF3N2O — CID 126569320

IUPAC7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCN1c2cc(Cl)ncc2OCC1CC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c1-16-6(3-10(12,13)14)5-17-8-4-15-9(11)2-7(8)16/h2,4,6H,3,5H2,1H3
InChIKeyQAKDSZMAEHWBHJ-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.88
Rot. Bonds1

About 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine

7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 126569320) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID126569320
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESCN1c2cc(Cl)ncc2OCC1CC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O/c1-16-6(3-10(12,13)14)5-17-8-4-15-9(11)2-7(8)16/h2,4,6H,3,5H2,1H3
InChIKeyQAKDSZMAEHWBHJ-UHFFFAOYSA-N
XLogP2.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.88
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 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 126569320) is 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is CN1c2cc(Cl)ncc2OCC1CC(F)(F)F.
What is the InChIKey of 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is QAKDSZMAEHWBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-16-6(3-10(12,13)14)5-17-8-4-15-9(11)2-7(8)16/h2,4,6H,3,5H2,1H3.
What are the key properties of 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 266.65 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 126569320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).