3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile

C11H5ClFN3O — CID 116689023

IUPAC3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H5ClFN3O/c12-7-2-1-3-9(10(7)13)17-11-8(6-14)15-4-5-16-11/h1-5H
InChIKeyGYRQSNJLZBXKPB-UHFFFAOYSA-N
MW249.63 g/mol
LogP2.93
Rot. Bonds2

About 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile

3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile (PubChem CID 116689023) has the molecular formula C11H5ClFN3O and a molecular weight of 249.63 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
PubChem CID116689023
Molecular FormulaC11H5ClFN3O
Molecular Weight249.63 g/mol
Exact Mass249.01
IUPAC Name3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1cccc(Cl)c1F
InChIInChI=1S/C11H5ClFN3O/c12-7-2-1-3-9(10(7)13)17-11-8(6-14)15-4-5-16-11/h1-5H
InChIKeyGYRQSNJLZBXKPB-UHFFFAOYSA-N
XLogP2.93
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.63
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carbonitrile
CID 2821109
2-Chloro-4-fluorophenyl 2-pyrazinyl ether
CID 8852555
3-(4-Methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
5-Phenoxypyrazine-2-carbonitrile
CID 64271739
5-(4-Chloro-3-ethylphenoxy)pyrazine-2-carbonitrile
CID 64272147
3-(4-Chlorophenoxy)pyrazine-2-carbonitrile
CID 2822048
2-Methyl-3-phenoxypyrazine
CID 522970
2-(Trifluoromethylphenoxy)-3-cyanopyrazine
CID 21218513
6-Fluoro-3-(4-methoxyphenoxy)-2-pyrazinecarbonitrile
CID 22662791
6-Fluoro-3-(4-hydroxyphenoxy)-2-pyrazinecarbonitrile
CID 22662854
2-(4-Fluorophenoxy)-5-methylpyrazine
CID 22937939
2-Chloro-6-(3-fluorophenoxy)pyrazine
CID 53486074

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile (CID 116689023) is 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile?
The InChIKey is GYRQSNJLZBXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClFN3O/c12-7-2-1-3-9(10(7)13)17-11-8(6-14)15-4-5-16-11/h1-5H.
What are the key properties of 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile?
3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile has a molecular weight of 249.63 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 116689023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).