5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

C16H12BrFN2O3 — CID 67437659

IUPAC5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
SMILESNC1=NC2(COC1)c1cc(O)ccc1Oc1c(F)cc(Br)cc12
InChIInChI=1S/C16H12BrFN2O3/c17-8-3-11-15(12(18)4-8)23-13-2-1-9(21)5-10(13)16(11)7-22-6-14(19)20-16/h1-5,21H,6-7H2,(H2,19,20)
InChIKeyGJTBVGMEABXNGX-UHFFFAOYSA-N
MW379.19 g/mol
LogP3.03
Rot. Bonds

About 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol

5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol (PubChem CID 67437659) has the molecular formula C16H12BrFN2O3 and a molecular weight of 379.19 g/mol. Its IUPAC name is 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol.

Molecular Properties

Compound Name5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
PubChem CID67437659
Molecular FormulaC16H12BrFN2O3
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Name5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
SMILESNC1=NC2(COC1)c1cc(O)ccc1Oc1c(F)cc(Br)cc12
InChIInChI=1S/C16H12BrFN2O3/c17-8-3-11-15(12(18)4-8)23-13-2-1-9(21)5-10(13)16(11)7-22-6-14(19)20-16/h1-5,21H,6-7H2,(H2,19,20)
InChIKeyGJTBVGMEABXNGX-UHFFFAOYSA-N
XLogP3.03
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol with MolForge

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Related Compounds

5-amino-5'-fluoro-7'-(2-fluoro-4-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67438769
tert-butyl N-(2'-bromo-4'-fluoro-7'-hydroxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-yl)carbamate
CID 67438585
5-amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol
CID 67440122
(5S)-7'-bromo-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 162041932
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 67387713
7'-bromo-3'-(difluoromethoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 67438255
7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466232
7'-bromo-3'-(2,2-dimethylpropoxy)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 67440041
2-amino-7'-bromospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;tribromoborane
CID 158686493
(5R)-2'-bromo-7'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5R)-2'-bromo-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 158855477
(4S)-2-amino-7'-bromo-4'-fluorospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;(4S)-2'-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4'-fluoro-7'-pyrazin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 157342008

Frequently Asked Questions

What is the IUPAC name of 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol?
The IUPAC name of 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol (CID 67437659) is 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol.
What is the SMILES notation for 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol?
The canonical SMILES for 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol is NC1=NC2(COC1)c1cc(O)ccc1Oc1c(F)cc(Br)cc12.
What is the InChIKey of 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol?
The InChIKey is GJTBVGMEABXNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O3/c17-8-3-11-15(12(18)4-8)23-13-2-1-9(21)5-10(13)16(11)7-22-6-14(19)20-16/h1-5,21H,6-7H2,(H2,19,20).
What are the key properties of 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol?
5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol has a molecular weight of 379.19 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7'-bromo-5'-fluorospiro[2,6-dihydro-1,4-oxazine-3,9'-xanthene]-2'-ol is sourced from PubChem (CID 67437659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).