2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine

C9H9ClF3N3 — CID 121201202

IUPAC2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
SMILESFC(F)(F)C1CCN(c2nccnc2Cl)C1
InChIInChI=1S/C9H9ClF3N3/c10-7-8(15-3-2-14-7)16-4-1-6(5-16)9(11,12)13/h2-3,6H,1,4-5H2
InChIKeyCGSZGPBNEOTEPO-UHFFFAOYSA-N
MW251.64 g/mol
LogP2.52
Rot. Bonds1

About 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine

2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine (PubChem CID 121201202) has the molecular formula C9H9ClF3N3 and a molecular weight of 251.64 g/mol. Its IUPAC name is 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
PubChem CID121201202
Molecular FormulaC9H9ClF3N3
Molecular Weight251.64 g/mol
Exact Mass251.04
IUPAC Name2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine
SMILESFC(F)(F)C1CCN(c2nccnc2Cl)C1
InChIInChI=1S/C9H9ClF3N3/c10-7-8(15-3-2-14-7)16-4-1-6(5-16)9(11,12)13/h2-3,6H,1,4-5H2
InChIKeyCGSZGPBNEOTEPO-UHFFFAOYSA-N
XLogP2.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
The IUPAC name of 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine (CID 121201202) is 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine.
What is the SMILES notation for 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
The canonical SMILES for 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine is FC(F)(F)C1CCN(c2nccnc2Cl)C1.
What is the InChIKey of 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
The InChIKey is CGSZGPBNEOTEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3/c10-7-8(15-3-2-14-7)16-4-1-6(5-16)9(11,12)13/h2-3,6H,1,4-5H2.
What are the key properties of 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine?
2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine has a molecular weight of 251.64 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[3-(trifluoromethyl)pyrrolidin-1-yl]pyrazine is sourced from PubChem (CID 121201202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).