6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one

C10H5BrFNO3 — CID 130289643

IUPAC6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one
SMILESO=c1c(/C=N\O)coc2cc(F)c(Br)cc12
InChIInChI=1S/C10H5BrFNO3/c11-7-1-6-9(2-8(7)12)16-4-5(3-13-15)10(6)14/h1-4,15H/b13-3-
InChIKeyWSQUBBFWZYVTGE-DXNYSGJVSA-N
MW286.06 g/mol
LogP2.50
Rot. Bonds1

About 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one

6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one (PubChem CID 130289643) has the molecular formula C10H5BrFNO3 and a molecular weight of 286.06 g/mol. Its IUPAC name is 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one.

Molecular Properties

Compound Name6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one
PubChem CID130289643
Molecular FormulaC10H5BrFNO3
Molecular Weight286.06 g/mol
Exact Mass284.94
IUPAC Name6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one
SMILESO=c1c(/C=N\O)coc2cc(F)c(Br)cc12
InChIInChI=1S/C10H5BrFNO3/c11-7-1-6-9(2-8(7)12)16-4-5(3-13-15)10(6)14/h1-4,15H/b13-3-
InChIKeyWSQUBBFWZYVTGE-DXNYSGJVSA-N
XLogP2.50
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-bromo-3-[(Z)-hydroxyiminomethyl]chromen-4-one
CID 98010064
7-bromo-3-(hydroxyiminomethyl)chromen-4-one
CID 112756211
(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
CID 163378744
8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde
CID 30034673
[(E)-(6,8-dibromo-7-hydroxy-4-oxochromen-3-yl)methylideneamino]thiourea
CID 139226565
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine
CID 54192738
2-[[3-(2,2-dicyanoethenyl)-4,6-dioxopyrano[3,2-g]chromen-7-yl]methylidene]propanedinitrile
CID 71763219
6,7-dichloro-4-oxochromene-3-carbaldehyde
CID 57352082
6,8-difluoro-4-oxochromene-3-carbaldehyde
CID 83396955
2-bromo-N-[(4-oxochromen-3-yl)methylideneamino]benzamide
CID 999899
3-[(E)-[(2,5-difluorophenyl)hydrazinylidene]methyl]chromen-4-one
CID 155919966

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one?
The IUPAC name of 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one (CID 130289643) is 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one.
What is the SMILES notation for 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one?
The canonical SMILES for 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one is O=c1c(/C=N\O)coc2cc(F)c(Br)cc12.
What is the InChIKey of 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one?
The InChIKey is WSQUBBFWZYVTGE-DXNYSGJVSA-N. The full InChI is InChI=1S/C10H5BrFNO3/c11-7-1-6-9(2-8(7)12)16-4-5(3-13-15)10(6)14/h1-4,15H/b13-3-.
What are the key properties of 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one?
6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one has a molecular weight of 286.06 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-3-[(Z)-hydroxyiminomethyl]chromen-4-one is sourced from PubChem (CID 130289643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).