2-chloro-5-(trifluoromethyl)pyrazine

C5H2ClF3N2 — CID 18987645

IUPAC2-chloro-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H
InChIKeyAIEGIFIEQXZBCP-UHFFFAOYSA-N
MW182.53 g/mol
LogP2.15
Rot. Bonds

About 2-chloro-5-(trifluoromethyl)pyrazine

2-chloro-5-(trifluoromethyl)pyrazine (PubChem CID 18987645) has the molecular formula C5H2ClF3N2 and a molecular weight of 182.53 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)pyrazine
PubChem CID18987645
Molecular FormulaC5H2ClF3N2
Molecular Weight182.53 g/mol
Exact Mass181.99
IUPAC Name2-chloro-5-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1cnc(Cl)cn1
InChIInChI=1S/C5H2ClF3N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H
InChIKeyAIEGIFIEQXZBCP-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.53
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-chloro-5-(trifluoromethyl)pyrazine (CID 18987645) is 2-chloro-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)pyrazine is FC(F)(F)c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)pyrazine?
The InChIKey is AIEGIFIEQXZBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2/c6-4-2-10-3(1-11-4)5(7,8)9/h1-2H.
What are the key properties of 2-chloro-5-(trifluoromethyl)pyrazine?
2-chloro-5-(trifluoromethyl)pyrazine has a molecular weight of 182.53 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 18987645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).