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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Related Compounds

N-(5-bromo-2-ethoxybenzyl)-N-(3-pyridinylmethyl)amine
CID 834314
(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
CID 136503365
{5-Bromo-2-[(2-fluorobenzyl)oxy]benzyl}(3-pyridinylmethyl)amine hydrochloride
CID 2951238
{5-Bromo-2-[(4-fluorobenzyl)oxy]benzyl}(4-pyridinylmethyl)amine hydrochloride
CID 2967412
[2-(Benzyloxy)-5-bromobenzyl](4-pyridinylmethyl)amine hydrochloride
CID 2968869
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2979789
9-Bromo-1'-isopropyl-2-(pyridin-3-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 3717232
3-[3-[2-[5-Bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]pyridine
CID 44432372
2-[3-[2-[5-Bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]pyridine
CID 44432373
2-[(E)-2-(2H-chromen-3-yl)ethenyl]pyridine
CID 68910900
Tcv-295
CID 9999062
Coumarin, 6-bromo-3-(2-pyridyl)-
CID 13732

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).