8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde

C10H4BrFO3 — CID 30034673

IUPAC8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2c(Br)cc(F)cc2c1=O
InChIInChI=1S/C10H4BrFO3/c11-8-2-6(12)1-7-9(14)5(3-13)4-15-10(7)8/h1-4H
InChIKeyUFGUMFQDUIWDCP-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.51
Rot. Bonds1

About 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde

8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde (PubChem CID 30034673) has the molecular formula C10H4BrFO3 and a molecular weight of 271.04 g/mol. Its IUPAC name is 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde
PubChem CID30034673
Molecular FormulaC10H4BrFO3
Molecular Weight271.04 g/mol
Exact Mass269.93
IUPAC Name8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde
SMILESO=Cc1coc2c(Br)cc(F)cc2c1=O
InChIInChI=1S/C10H4BrFO3/c11-8-2-6(12)1-7-9(14)5(3-13)4-15-10(7)8/h1-4H
InChIKeyUFGUMFQDUIWDCP-UHFFFAOYSA-N
XLogP2.51
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6,8-difluoro-4-oxochromene-3-carbaldehyde
CID 83396955
6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde
CID 146273634
6-bromo-8-nitro-4-oxochromene-3-carbaldehyde
CID 39095532
8-bromo-6-fluorochromen-4-one
CID 83396930
6-bromo-8-methyl-4-oxo-7-phenylmethoxychromene-3-carbaldehyde
CID 139223600
6-chloro-7,8-dimethyl-4-oxochromene-3-carbaldehyde
CID 139223601
6-ethyl-8-methyl-4-oxochromene-3-carbaldehyde
CID 139223326
8-bromo-7-methyl-6-nitro-4-oxochromene-3-carbaldehyde
CID 139223725
3-bromo-2-chloro-5-fluorobenzaldehyde
CID 118797003
(E)-3-(6-fluoro-8-nitro-4-oxochromen-3-yl)-2-methylprop-2-enoic acid
CID 170873213
5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
7-hydroxy-6,8-bis(3-methylbut-2-enyl)-4-oxochromene-3-carbaldehyde
CID 11573412

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde?
The IUPAC name of 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde (CID 30034673) is 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde.
What is the SMILES notation for 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde?
The canonical SMILES for 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde is O=Cc1coc2c(Br)cc(F)cc2c1=O.
What is the InChIKey of 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde?
The InChIKey is UFGUMFQDUIWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrFO3/c11-8-2-6(12)1-7-9(14)5(3-13)4-15-10(7)8/h1-4H.
What are the key properties of 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde?
8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde has a molecular weight of 271.04 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-4-oxochromene-3-carbaldehyde is sourced from PubChem (CID 30034673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).