6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde

C13H9BrFNO2 — CID 86611529

IUPAC6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(Oc2ccc(Br)cc2F)ccc1C=O
InChIInChI=1S/C13H9BrFNO2/c1-8-9(7-17)2-5-13(16-8)18-12-4-3-10(14)6-11(12)15/h2-7H,1H3
InChIKeyPNRXGCXRRIQPCV-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.90
Rot. Bonds3

About 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde

6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde (PubChem CID 86611529) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde
PubChem CID86611529
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde
SMILESCc1nc(Oc2ccc(Br)cc2F)ccc1C=O
InChIInChI=1S/C13H9BrFNO2/c1-8-9(7-17)2-5-13(16-8)18-12-4-3-10(14)6-11(12)15/h2-7H,1H3
InChIKeyPNRXGCXRRIQPCV-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde (CID 86611529) is 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde is Cc1nc(Oc2ccc(Br)cc2F)ccc1C=O.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde?
The InChIKey is PNRXGCXRRIQPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c1-8-9(7-17)2-5-13(16-8)18-12-4-3-10(14)6-11(12)15/h2-7H,1H3.
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde?
6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde has a molecular weight of 310.12 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-2-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 86611529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).