2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde

C12H6ClF2NO2 — CID 90303752

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6ClF2NO2/c13-8-2-10(5-16-4-8)18-12-7(6-17)1-9(14)3-11(12)15/h1-6H
InChIKeyNFDCSMUDWDLLMV-UHFFFAOYSA-N
MW269.63 g/mol
LogP3.62
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde

2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde (PubChem CID 90303752) has the molecular formula C12H6ClF2NO2 and a molecular weight of 269.63 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde
PubChem CID90303752
Molecular FormulaC12H6ClF2NO2
Molecular Weight269.63 g/mol
Exact Mass269.01
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1Oc1cncc(Cl)c1
InChIInChI=1S/C12H6ClF2NO2/c13-8-2-10(5-16-4-8)18-12-7(6-17)1-9(14)3-11(12)15/h1-6H
InChIKeyNFDCSMUDWDLLMV-UHFFFAOYSA-N
XLogP3.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 53.62
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 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde (CID 90303752) is 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde is O=Cc1cc(F)cc(F)c1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde?
The InChIKey is NFDCSMUDWDLLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO2/c13-8-2-10(5-16-4-8)18-12-7(6-17)1-9(14)3-11(12)15/h1-6H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde?
2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde has a molecular weight of 269.63 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorobenzaldehyde is sourced from PubChem (CID 90303752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).