6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde

C13H9ClFNO2 — CID 82716271

IUPAC6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9ClFNO2/c1-8-4-9(7-17)6-16-13(8)18-10-2-3-11(14)12(15)5-10/h2-7H,1H3
InChIKeyIUUSMIVHCUIRMV-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.79
Rot. Bonds3

About 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde

6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde (PubChem CID 82716271) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
PubChem CID82716271
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9ClFNO2/c1-8-4-9(7-17)6-16-13(8)18-10-2-3-11(14)12(15)5-10/h2-7H,1H3
InChIKeyIUUSMIVHCUIRMV-UHFFFAOYSA-N
XLogP3.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.79
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

6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259
6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 80631507
methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
CID 58835150
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
2-(4-chloro-3-fluorophenoxy)-6-methylpyridin-3-amine
CID 82716853
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
[5-chloro-6-(3-fluoro-4-methylphenoxy)-3-pyridinyl]methanol
CID 107170106
2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 82717285
6-(2-fluoro-5-methyl-4-nitrophenoxy)-5-methylpyridine-3-carbaldehyde
CID 114417002

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde (CID 82716271) is 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde?
The InChIKey is IUUSMIVHCUIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-8-4-9(7-17)6-16-13(8)18-10-2-3-11(14)12(15)5-10/h2-7H,1H3.
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde?
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde has a molecular weight of 265.67 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 82716271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).