2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde

C13H10F2N2O2 — CID 143492413

IUPAC2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2cnccn2)c(OCCF)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-1-4-19-13-6-11(15)9(8-18)5-10(13)12-7-16-2-3-17-12/h2-3,5-8H,1,4H2
InChIKeyMHCDPGSSEKRZAZ-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.44
Rot. Bonds5

About 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde

2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde (PubChem CID 143492413) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde
PubChem CID143492413
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde
SMILESO=Cc1cc(-c2cnccn2)c(OCCF)cc1F
InChIInChI=1S/C13H10F2N2O2/c14-1-4-19-13-6-11(15)9(8-18)5-10(13)12-7-16-2-3-17-12/h2-3,5-8H,1,4H2
InChIKeyMHCDPGSSEKRZAZ-UHFFFAOYSA-N
XLogP2.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde?
The IUPAC name of 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde (CID 143492413) is 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde.
What is the SMILES notation for 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde?
The canonical SMILES for 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde is O=Cc1cc(-c2cnccn2)c(OCCF)cc1F.
What is the InChIKey of 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde?
The InChIKey is MHCDPGSSEKRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c14-1-4-19-13-6-11(15)9(8-18)5-10(13)12-7-16-2-3-17-12/h2-3,5-8H,1,4H2.
What are the key properties of 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde?
2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde has a molecular weight of 264.23 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde is sourced from PubChem (CID 143492413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).