2,6-difluoro-4-pyrazin-2-ylbenzaldehyde

C11H6F2N2O — CID 135290749

IUPAC2,6-difluoro-4-pyrazin-2-ylbenzaldehyde
SMILESO=Cc1c(F)cc(-c2cnccn2)cc1F
InChIInChI=1S/C11H6F2N2O/c12-9-3-7(4-10(13)8(9)6-16)11-5-14-1-2-15-11/h1-6H
InChIKeyCIMHPAMYAHLLFU-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.23
Rot. Bonds2

About 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde

2,6-difluoro-4-pyrazin-2-ylbenzaldehyde (PubChem CID 135290749) has the molecular formula C11H6F2N2O and a molecular weight of 220.18 g/mol. Its IUPAC name is 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-pyrazin-2-ylbenzaldehyde
PubChem CID135290749
Molecular FormulaC11H6F2N2O
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name2,6-difluoro-4-pyrazin-2-ylbenzaldehyde
SMILESO=Cc1c(F)cc(-c2cnccn2)cc1F
InChIInChI=1S/C11H6F2N2O/c12-9-3-7(4-10(13)8(9)6-16)11-5-14-1-2-15-11/h1-6H
InChIKeyCIMHPAMYAHLLFU-UHFFFAOYSA-N
XLogP2.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.23
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

3-fluoro-6-pyrazin-2-ylpyridine-2-carbaldehyde
CID 59201289
2-(3,4,5-trimethylphenyl)pyrazine
CID 126550614
2,6-difluoro-4-[4-(oxetan-3-yloxy)-2-pyridinyl]benzaldehyde
CID 135290673
2-(3-fluoro-5-methoxyphenyl)pyrazine
CID 166161834
2-fluoro-4-(2-fluoroethoxy)-5-pyrazin-2-ylbenzaldehyde
CID 143492413
2-(3,5-ditert-butylphenyl)pyrazine
CID 175590155
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
5-pyrazin-2-yl-1,2-oxazole-3-carbaldehyde
CID 175104512
2-(4-bromo-3,5-dimethylphenyl)pyrazine
CID 86697321
1-(4-chloro-3-fluorophenyl)-3-pyrazin-2-ylpyrazole-4-carbaldehyde
CID 79129114
3-methyl-5-pyrazin-2-ylaniline
CID 107579564
2-(2-chloro-4-pyridinyl)pyrazine
CID 71615032

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde?
The IUPAC name of 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde (CID 135290749) is 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde?
The canonical SMILES for 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde is O=Cc1c(F)cc(-c2cnccn2)cc1F.
What is the InChIKey of 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde?
The InChIKey is CIMHPAMYAHLLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O/c12-9-3-7(4-10(13)8(9)6-16)11-5-14-1-2-15-11/h1-6H.
What are the key properties of 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde?
2,6-difluoro-4-pyrazin-2-ylbenzaldehyde has a molecular weight of 220.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-pyrazin-2-ylbenzaldehyde is sourced from PubChem (CID 135290749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).