2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine

C8H8ClF2N3 — CID 86681768

IUPAC2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C8H8ClF2N3/c9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h3-4H,1-2,5H2
InChIKeyKLNPIOYFVPQJAY-UHFFFAOYSA-N
MW219.62 g/mol
LogP1.98
Rot. Bonds1

About 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine (PubChem CID 86681768) has the molecular formula C8H8ClF2N3 and a molecular weight of 219.62 g/mol. Its IUPAC name is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
PubChem CID86681768
Molecular FormulaC8H8ClF2N3
Molecular Weight219.62 g/mol
Exact Mass219.04
IUPAC Name2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C8H8ClF2N3/c9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h3-4H,1-2,5H2
InChIKeyKLNPIOYFVPQJAY-UHFFFAOYSA-N
XLogP1.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine (CID 86681768) is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine is FC1(F)CCN(c2cncc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
The InChIKey is KLNPIOYFVPQJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N3/c9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14/h3-4H,1-2,5H2.
What are the key properties of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine?
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine has a molecular weight of 219.62 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine is sourced from PubChem (CID 86681768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).