2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde

C14H9BrFNO4 — CID 81497136

IUPAC2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(OCc2cc(F)ccc2[N+](=O)[O-])ccc1Br
InChIInChI=1S/C14H9BrFNO4/c15-13-3-2-12(6-9(13)7-18)21-8-10-5-11(16)1-4-14(10)17(19)20/h1-7H,8H2
InChIKeySIRCSMQJQVFHHH-UHFFFAOYSA-N
MW354.13 g/mol
LogP3.89
Rot. Bonds5

About 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde

2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde (PubChem CID 81497136) has the molecular formula C14H9BrFNO4 and a molecular weight of 354.13 g/mol. Its IUPAC name is 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde
PubChem CID81497136
Molecular FormulaC14H9BrFNO4
Molecular Weight354.13 g/mol
Exact Mass352.97
IUPAC Name2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(OCc2cc(F)ccc2[N+](=O)[O-])ccc1Br
InChIInChI=1S/C14H9BrFNO4/c15-13-3-2-12(6-9(13)7-18)21-8-10-5-11(16)1-4-14(10)17(19)20/h1-7H,8H2
InChIKeySIRCSMQJQVFHHH-UHFFFAOYSA-N
XLogP3.89
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-fluoro-2-nitrophenyl)methoxy]phenol
CID 43443691
2-[[3-(bromomethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443687
2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403669
2-(bromomethyl)-5-[(5-fluoro-2-nitrophenyl)methoxy]pyridine
CID 79800306
1-[4-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60878936
2-bromo-1-[(5-fluoro-2-nitrophenyl)methoxy]-4-methylbenzene
CID 43443648
(1S)-1-[3-[(5-fluoro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367201
1-bromo-4-[(4-bromo-2-nitrophenyl)methoxy]-2-fluorobenzene
CID 114381636
4-fluoro-2-[(2-iodophenoxy)methyl]-1-nitrobenzene
CID 47230967
1-(bromomethyl)-3-fluoro-2-[(5-fluoro-2-nitrophenyl)methoxy]benzene
CID 115956803
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde (CID 81497136) is 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde is O=Cc1cc(OCc2cc(F)ccc2[N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde?
The InChIKey is SIRCSMQJQVFHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO4/c15-13-3-2-12(6-9(13)7-18)21-8-10-5-11(16)1-4-14(10)17(19)20/h1-7H,8H2.
What are the key properties of 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde?
2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde has a molecular weight of 354.13 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 81497136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).