[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine

C11H9F2N3O — CID 62684336

IUPAC[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2N3O/c12-8-2-1-7(5-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H,6,14H2
InChIKeyMUQWZLJESKGAGG-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.01
Rot. Bonds3

About [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine

[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine (PubChem CID 62684336) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine
PubChem CID62684336
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2N3O/c12-8-2-1-7(5-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H,6,14H2
InChIKeyMUQWZLJESKGAGG-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62672553
[4-[3-(aminomethyl)pyrazin-2-yl]oxyphenyl]methanol
CID 62683655
[3-[3-(methoxymethyl)phenoxy]pyrazin-2-yl]methanamine
CID 63984754
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
2-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112573012
(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
CID 114056480
4-chloro-6-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 60726327
3-chloro-5-(chloromethyl)-2-(3,4-difluorophenoxy)pyridine
CID 61269746
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
3-(4-amino-3-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672882

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine (CID 62684336) is [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine is NCc1nccnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine?
The InChIKey is MUQWZLJESKGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-8-2-1-7(5-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H,6,14H2.
What are the key properties of [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine?
[3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine has a molecular weight of 237.21 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 62684336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).