3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile

C11H5ClFN3O — CID 55220356

IUPAC3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H5ClFN3O/c12-8-5-7(1-2-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H
InChIKeyDWDDHZHMKLRYDW-UHFFFAOYSA-N
MW249.63 g/mol
LogP2.93
Rot. Bonds2

About 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile

3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile (PubChem CID 55220356) has the molecular formula C11H5ClFN3O and a molecular weight of 249.63 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
PubChem CID55220356
Molecular FormulaC11H5ClFN3O
Molecular Weight249.63 g/mol
Exact Mass249.01
IUPAC Name3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H5ClFN3O/c12-8-5-7(1-2-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H
InChIKeyDWDDHZHMKLRYDW-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

Analyze 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
CID 114287961
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 62867765
3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
CID 62684225
3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 116689023
(3-chloro-4-fluorophenyl) cyanate
CID 122489047

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile (CID 55220356) is 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile?
The InChIKey is DWDDHZHMKLRYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClFN3O/c12-8-5-7(1-2-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile?
3-(3-chloro-4-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-4-fluorophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 55220356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).