[5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine

C6H5ClF3N3 — CID 83848889

IUPAC[5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3/c7-5-4(6(8,9)10)13-3(1-11)2-12-5/h2H,1,11H2
InChIKeyWSVDUELHWMTMQH-UHFFFAOYSA-N
MW211.57 g/mol
LogP1.61
Rot. Bonds1

About [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine

[5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine (PubChem CID 83848889) has the molecular formula C6H5ClF3N3 and a molecular weight of 211.57 g/mol. Its IUPAC name is [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine
PubChem CID83848889
Molecular FormulaC6H5ClF3N3
Molecular Weight211.57 g/mol
Exact Mass211.01
IUPAC Name[5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine
SMILESNCc1cnc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C6H5ClF3N3/c7-5-4(6(8,9)10)13-3(1-11)2-12-5/h2H,1,11H2
InChIKeyWSVDUELHWMTMQH-UHFFFAOYSA-N
XLogP1.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine?
The IUPAC name of [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine (CID 83848889) is [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine is NCc1cnc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine?
The InChIKey is WSVDUELHWMTMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3/c7-5-4(6(8,9)10)13-3(1-11)2-12-5/h2H,1,11H2.
What are the key properties of [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine?
[5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine has a molecular weight of 211.57 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 83848889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).