6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine

C15H12BrFN2O — CID 10806691

IUPAC6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
SMILESCC1(C)N=C(c2ccccn2)c2cc(Br)c(F)cc2O1
InChIInChI=1S/C15H12BrFN2O/c1-15(2)19-14(12-5-3-4-6-18-12)9-7-10(16)11(17)8-13(9)20-15/h3-8H,1-2H3
InChIKeyPLTGBFIRKSSPJB-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.95
Rot. Bonds1

About 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine

6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine (PubChem CID 10806691) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine.

Molecular Properties

Compound Name6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
PubChem CID10806691
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
SMILESCC1(C)N=C(c2ccccn2)c2cc(Br)c(F)cc2O1
InChIInChI=1S/C15H12BrFN2O/c1-15(2)19-14(12-5-3-4-6-18-12)9-7-10(16)11(17)8-13(9)20-15/h3-8H,1-2H3
InChIKeyPLTGBFIRKSSPJB-UHFFFAOYSA-N
XLogP3.95
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The IUPAC name of 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine (CID 10806691) is 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine.
What is the SMILES notation for 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The canonical SMILES for 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine is CC1(C)N=C(c2ccccn2)c2cc(Br)c(F)cc2O1.
What is the InChIKey of 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The InChIKey is PLTGBFIRKSSPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c1-15(2)19-14(12-5-3-4-6-18-12)9-7-10(16)11(17)8-13(9)20-15/h3-8H,1-2H3.
What are the key properties of 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine?
6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine has a molecular weight of 335.18 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine is sourced from PubChem (CID 10806691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).