(2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C14H7Br2ClN2O3 — CID 66556918

IUPAC(2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2nc(Cl)ccc2O/C1=C\c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H7Br2ClN2O3/c15-7-3-6(4-8(16)12(7)20)5-10-14(21)19-13-9(22-10)1-2-11(17)18-13/h1-5,20H,(H,18,19,21)/b10-5-
InChIKeyGJLURRGPXPCRNA-YHYXMXQVSA-N
MW446.48 g/mol
LogP4.34
Rot. Bonds1

About (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one

(2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 66556918) has the molecular formula C14H7Br2ClN2O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID66556918
Molecular FormulaC14H7Br2ClN2O3
Molecular Weight446.48 g/mol
Exact Mass443.85
IUPAC Name(2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2nc(Cl)ccc2O/C1=C\c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H7Br2ClN2O3/c15-7-3-6(4-8(16)12(7)20)5-10-14(21)19-13-9(22-10)1-2-11(17)18-13/h1-5,20H,(H,18,19,21)/b10-5-
InChIKeyGJLURRGPXPCRNA-YHYXMXQVSA-N
XLogP4.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 10598795
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 66556574
5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 78472496
(5Z)-5-[(3-bromo-5-chloro-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2287272
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-oxazolidine-2,4-dione
CID 54537503
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-methylimidazolidine-2,4-dione
CID 19374978
(5Z)-2-(3-chloro-4-methylphenyl)imino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137064740
5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4571049
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-one
CID 67559789
(4E)-4-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 94849006
(2Z)-2-[(4-bromophenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 143664879

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 66556918) is (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1Nc2nc(Cl)ccc2O/C1=C\c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GJLURRGPXPCRNA-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H7Br2ClN2O3/c15-7-3-6(4-8(16)12(7)20)5-10-14(21)19-13-9(22-10)1-2-11(17)18-13/h1-5,20H,(H,18,19,21)/b10-5-.
What are the key properties of (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
(2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 446.48 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-chloro-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 66556918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).