4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde

C13H9BrFNO2 — CID 107689523

IUPAC4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C13H9BrFNO2/c14-10-2-3-11(16-6-10)8-18-13-4-1-9(7-17)5-12(13)15/h1-7H,8H2
InChIKeyVGAUEQRZMYMECW-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.37
Rot. Bonds4

About 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde

4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde (PubChem CID 107689523) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
PubChem CID107689523
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
SMILESO=Cc1ccc(OCc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C13H9BrFNO2/c14-10-2-3-11(16-6-10)8-18-13-4-1-9(7-17)5-12(13)15/h1-7H,8H2
InChIKeyVGAUEQRZMYMECW-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

4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
3-fluoro-4-(quinolin-2-ylmethoxy)benzaldehyde
CID 103850104
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513
2-[(5-bromo-2-pyridinyl)methoxy]-5-fluorobenzoic acid
CID 113454048
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
CID 64720224
(E)-3-[4-[(5-bromo-2-pyridinyl)methoxy]-3-chlorophenyl]prop-2-enoic acid
CID 104799294
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
3-fluoro-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 107689490
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde (CID 107689523) is 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde is O=Cc1ccc(OCc2ccc(Br)cn2)c(F)c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
The InChIKey is VGAUEQRZMYMECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-10-2-3-11(16-6-10)8-18-13-4-1-9(7-17)5-12(13)15/h1-7H,8H2.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde?
4-[(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 4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde is sourced from PubChem (CID 107689523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).