9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine

C12H7F3N2O — CID 91057038

IUPAC9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine
SMILESFC(F)(F)c1ccnc2cc3c(cc12)N=CCO3
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)8-1-2-16-9-6-11-10(5-7(8)9)17-3-4-18-11/h1-3,5-6H,4H2
InChIKeyVSETYMPEUIKPAX-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.35
Rot. Bonds

About 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine

9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine (PubChem CID 91057038) has the molecular formula C12H7F3N2O and a molecular weight of 252.19 g/mol. Its IUPAC name is 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine.

Molecular Properties

Compound Name9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine
PubChem CID91057038
Molecular FormulaC12H7F3N2O
Molecular Weight252.19 g/mol
Exact Mass252.05
IUPAC Name9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine
SMILESFC(F)(F)c1ccnc2cc3c(cc12)N=CCO3
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)8-1-2-16-9-6-11-10(5-7(8)9)17-3-4-18-11/h1-3,5-6H,4H2
InChIKeyVSETYMPEUIKPAX-UHFFFAOYSA-N
XLogP3.35
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine?
The IUPAC name of 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine (CID 91057038) is 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine.
What is the SMILES notation for 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine?
The canonical SMILES for 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine is FC(F)(F)c1ccnc2cc3c(cc12)N=CCO3.
What is the InChIKey of 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine?
The InChIKey is VSETYMPEUIKPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)8-1-2-16-9-6-11-10(5-7(8)9)17-3-4-18-11/h1-3,5-6H,4H2.
What are the key properties of 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine?
9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine has a molecular weight of 252.19 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-3H-pyrido[3,2-g][1,4]benzoxazine is sourced from PubChem (CID 91057038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).