(3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate

C14H11BrClN2O6- — CID 44610442

IUPAC(3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCOc2cnccc21.[O-][Br+2]([O-])[O-]
InChIInChI=1S/C14H11ClN2O3.BrO3/c15-10-7-9(1-2-12(10)18)14(19)17-5-6-20-13-8-16-4-3-11(13)17;2-1(3)4/h1-4,7-8,18H,5-6H2;/q;-1
InChIKeyRTLUYXHORLJYCO-UHFFFAOYSA-N
MW418.61 g/mol
LogP-1.09
Rot. Bonds1

About (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate

(3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate (PubChem CID 44610442) has the molecular formula C14H11BrClN2O6- and a molecular weight of 418.61 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate
PubChem CID44610442
Molecular FormulaC14H11BrClN2O6-
Molecular Weight418.61 g/mol
Exact Mass416.95
IUPAC Name(3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCOc2cnccc21.[O-][Br+2]([O-])[O-]
InChIInChI=1S/C14H11ClN2O3.BrO3/c15-10-7-9(1-2-12(10)18)14(19)17-5-6-20-13-8-16-4-3-11(13)17;2-1(3)4/h1-4,7-8,18H,5-6H2;/q;-1
InChIKeyRTLUYXHORLJYCO-UHFFFAOYSA-N
XLogP-1.09
TPSA131.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate (CID 44610442) is (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate is O=C(c1ccc(O)c(Cl)c1)N1CCOc2cnccc21.[O-][Br+2]([O-])[O-].
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate?
The InChIKey is RTLUYXHORLJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3.BrO3/c15-10-7-9(1-2-12(10)18)14(19)17-5-6-20-13-8-16-4-3-11(13)17;2-1(3)4/h1-4,7-8,18H,5-6H2;/q;-1.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate?
(3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate has a molecular weight of 418.61 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl)methanone bromate is sourced from PubChem (CID 44610442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).