2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine

C9H10ClF2N3 — CID 118279329

IUPAC2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine
SMILESFC1(F)CCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C9H10ClF2N3/c10-8-4-13-7(3-14-8)5-15-2-1-9(11,12)6-15/h3-4H,1-2,5-6H2
InChIKeyCDPVBCJBUCLWRI-UHFFFAOYSA-N
MW233.65 g/mol
LogP1.97
Rot. Bonds2

About 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine

2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine (PubChem CID 118279329) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine
PubChem CID118279329
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine
SMILESFC1(F)CCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C9H10ClF2N3/c10-8-4-13-7(3-14-8)5-15-2-1-9(11,12)6-15/h3-4H,1-2,5-6H2
InChIKeyCDPVBCJBUCLWRI-UHFFFAOYSA-N
XLogP1.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine (CID 118279329) is 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine is FC1(F)CCN(Cc2cnc(Cl)cn2)C1.
What is the InChIKey of 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine?
The InChIKey is CDPVBCJBUCLWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3/c10-8-4-13-7(3-14-8)5-15-2-1-9(11,12)6-15/h3-4H,1-2,5-6H2.
What are the key properties of 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine?
2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine has a molecular weight of 233.65 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 118279329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).