6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde

C13H9ClFNO2 — CID 178141880

IUPAC6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2c(F)cccc2Cl)nc1
InChIInChI=1S/C13H9ClFNO2/c14-11-2-1-3-12(15)10(11)8-18-13-5-4-9(7-17)6-16-13/h1-7H,8H2
InChIKeyIPJKYMWBRHRJNB-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.27
Rot. Bonds4

About 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde

6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde (PubChem CID 178141880) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde
PubChem CID178141880
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(OCc2c(F)cccc2Cl)nc1
InChIInChI=1S/C13H9ClFNO2/c14-11-2-1-3-12(15)10(11)8-18-13-5-4-9(7-17)6-16-13/h1-7H,8H2
InChIKeyIPJKYMWBRHRJNB-UHFFFAOYSA-N
XLogP3.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.27
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-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde (CID 178141880) is 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde is O=Cc1ccc(OCc2c(F)cccc2Cl)nc1.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
The InChIKey is IPJKYMWBRHRJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-2-1-3-12(15)10(11)8-18-13-5-4-9(7-17)6-16-13/h1-7H,8H2.
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde?
6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde has a molecular weight of 265.67 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorophenyl)methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 178141880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).