2-chloro-6-(difluoromethyl)pyrazine

C5H3ClF2N2 — CID 84651994

IUPAC2-chloro-6-(difluoromethyl)pyrazine
SMILESFC(F)c1cncc(Cl)n1
InChIInChI=1S/C5H3ClF2N2/c6-4-2-9-1-3(10-4)5(7)8/h1-2,5H
InChIKeyCDJGHWKQWNKJKV-UHFFFAOYSA-N
MW164.54 g/mol
LogP2.07
Rot. Bonds1

About 2-chloro-6-(difluoromethyl)pyrazine

2-chloro-6-(difluoromethyl)pyrazine (PubChem CID 84651994) has the molecular formula C5H3ClF2N2 and a molecular weight of 164.54 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)pyrazine
PubChem CID84651994
Molecular FormulaC5H3ClF2N2
Molecular Weight164.54 g/mol
Exact Mass164.00
IUPAC Name2-chloro-6-(difluoromethyl)pyrazine
SMILESFC(F)c1cncc(Cl)n1
InChIInChI=1S/C5H3ClF2N2/c6-4-2-9-1-3(10-4)5(7)8/h1-2,5H
InChIKeyCDJGHWKQWNKJKV-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)pyrazine?
The IUPAC name of 2-chloro-6-(difluoromethyl)pyrazine (CID 84651994) is 2-chloro-6-(difluoromethyl)pyrazine.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)pyrazine?
The canonical SMILES for 2-chloro-6-(difluoromethyl)pyrazine is FC(F)c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(difluoromethyl)pyrazine?
The InChIKey is CDJGHWKQWNKJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2/c6-4-2-9-1-3(10-4)5(7)8/h1-2,5H.
What are the key properties of 2-chloro-6-(difluoromethyl)pyrazine?
2-chloro-6-(difluoromethyl)pyrazine has a molecular weight of 164.54 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)pyrazine is sourced from PubChem (CID 84651994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).