2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde

C13H9BrFNO2 — CID 104797513

IUPAC2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCc1ccc(Br)cn1
InChIInChI=1S/C13H9BrFNO2/c14-10-4-5-11(16-6-10)8-18-13-9(7-17)2-1-3-12(13)15/h1-7H,8H2
InChIKeyJPLPOJHKNBWXKG-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.37
Rot. Bonds4

About 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde

2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde (PubChem CID 104797513) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
PubChem CID104797513
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1cccc(F)c1OCc1ccc(Br)cn1
InChIInChI=1S/C13H9BrFNO2/c14-10-4-5-11(16-6-10)8-18-13-9(7-17)2-1-3-12(13)15/h1-7H,8H2
InChIKeyJPLPOJHKNBWXKG-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.37
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

1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464
3-fluoro-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 112611761
2-[(2,5-difluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611763
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 107689523
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611835
3-fluoro-2-[(3-fluorophenyl)methoxy]benzaldehyde
CID 112611552
3-fluoro-2-prop-2-enoxybenzaldehyde
CID 112611625
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 104796604
3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611794
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]-3-fluorobenzaldehyde
CID 115955823
(E)-3-[3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 115956988
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde (CID 104797513) is 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde is O=Cc1cccc(F)c1OCc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
The InChIKey is JPLPOJHKNBWXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-10-4-5-11(16-6-10)8-18-13-9(7-17)2-1-3-12(13)15/h1-7H,8H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde has a molecular weight of 310.12 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 104797513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).