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

C11H7FN4O — CID 62672882

IUPAC3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(N)c(F)c1
InChIInChI=1S/C11H7FN4O/c12-8-5-7(1-2-9(8)14)17-11-10(6-13)15-3-4-16-11/h1-5H,14H2
InChIKeyIGCKGAJBQZUZJX-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.86
Rot. Bonds2

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

3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile (PubChem CID 62672882) has the molecular formula C11H7FN4O and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
PubChem CID62672882
Molecular FormulaC11H7FN4O
Molecular Weight230.20 g/mol
Exact Mass230.06
IUPAC Name3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Oc1ccc(N)c(F)c1
InChIInChI=1S/C11H7FN4O/c12-8-5-7(1-2-9(8)14)17-11-10(6-13)15-3-4-16-11/h1-5H,14H2
InChIKeyIGCKGAJBQZUZJX-UHFFFAOYSA-N
XLogP1.86
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-3-methylphenoxy)pyrazine-2-carbonitrile
CID 62672549
3-(3-chloro-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 55220356
3-naphthalen-2-yloxypyrazine-2-carbonitrile
CID 60620344
3-(4-amino-3-fluorophenoxy)-1H-pyrazin-2-one
CID 114570857
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
3-(4-methylsulfanylphenoxy)pyrazine-2-carbonitrile
CID 62867765
3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
CID 62684225
4-(3-cyanopyrazin-2-yl)oxybenzamide
CID 62683866
3-(2-amino-4-methylphenoxy)pyrazine-2-carbonitrile
CID 62673774
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
CID 81332179
2-chloro-5-(3-cyanopyrazin-2-yl)oxybenzoic acid
CID 106502963
4-(4-amino-3-fluorophenoxy)-2-methylbenzonitrile
CID 81278641

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile (CID 62672882) is 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile is N#Cc1nccnc1Oc1ccc(N)c(F)c1.
What is the InChIKey of 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile?
The InChIKey is IGCKGAJBQZUZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O/c12-8-5-7(1-2-9(8)14)17-11-10(6-13)15-3-4-16-11/h1-5H,14H2.
What are the key properties of 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile?
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile has a molecular weight of 230.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 62672882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).