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

C15H10ClF3N2O3 — CID 15023212

IUPAC6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2NC1=O
InChIInChI=1S/C15H10ClF3N2O3/c1-7-13(22)21-11-5-9(2-3-12(11)23-7)24-14-10(16)4-8(6-20-14)15(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyUWFGZRPWQIGUTR-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.27
Rot. Bonds2

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

6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 15023212) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID15023212
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2NC1=O
InChIInChI=1S/C15H10ClF3N2O3/c1-7-13(22)21-11-5-9(2-3-12(11)23-7)24-14-10(16)4-8(6-20-14)15(17,18)19/h2-7H,1H3,(H,21,22)
InChIKeyUWFGZRPWQIGUTR-UHFFFAOYSA-N
XLogP4.27
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-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-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one (CID 15023212) is 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2NC1=O.
What is the InChIKey of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is UWFGZRPWQIGUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c1-7-13(22)21-11-5-9(2-3-12(11)23-7)24-14-10(16)4-8(6-20-14)15(17,18)19/h2-7H,1H3,(H,21,22).
What are the key properties of 6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one?
6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 358.70 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 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-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 15023212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).