6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one

C16H12ClF3N2O3 — CID 10022193

IUPAC6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2N(C)C1=O
InChIInChI=1S/C16H12ClF3N2O3/c1-8-15(23)22(2)12-6-10(3-4-13(12)24-8)25-14-11(17)5-9(7-21-14)16(18,19)20/h3-8H,1-2H3
InChIKeySQVFFWIAXGJNHE-UHFFFAOYSA-N
MW372.73 g/mol
LogP4.29
Rot. Bonds2

About 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one

6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 10022193) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID10022193
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC Name6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2N(C)C1=O
InChIInChI=1S/C16H12ClF3N2O3/c1-8-15(23)22(2)12-6-10(3-4-13(12)24-8)25-14-11(17)5-9(7-21-14)16(18,19)20/h3-8H,1-2H3
InChIKeySQVFFWIAXGJNHE-UHFFFAOYSA-N
XLogP4.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one 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 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one (CID 10022193) is 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2N(C)C1=O.
What is the InChIKey of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is SQVFFWIAXGJNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c1-8-15(23)22(2)12-6-10(3-4-13(12)24-8)25-14-11(17)5-9(7-21-14)16(18,19)20/h3-8H,1-2H3.
What are the key properties of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one?
6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 372.73 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 10022193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).