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

C10H12ClF2N3 — CID 118279344

IUPAC2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine
SMILESFC1(F)CCCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C10H12ClF2N3/c11-9-5-14-8(4-15-9)6-16-3-1-2-10(12,13)7-16/h4-5H,1-3,6-7H2
InChIKeyLVSLRVYGENUWNW-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.36
Rot. Bonds2

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

2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine (PubChem CID 118279344) has the molecular formula C10H12ClF2N3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine
PubChem CID118279344
Molecular FormulaC10H12ClF2N3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine
SMILESFC1(F)CCCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C10H12ClF2N3/c11-9-5-14-8(4-15-9)6-16-3-1-2-10(12,13)7-16/h4-5H,1-3,6-7H2
InChIKeyLVSLRVYGENUWNW-UHFFFAOYSA-N
XLogP2.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine (CID 118279344) is 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine is FC1(F)CCCN(Cc2cnc(Cl)cn2)C1.
What is the InChIKey of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine?
The InChIKey is LVSLRVYGENUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3/c11-9-5-14-8(4-15-9)6-16-3-1-2-10(12,13)7-16/h4-5H,1-3,6-7H2.
What are the key properties of 2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine?
2-chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine has a molecular weight of 247.68 g/mol, XLogP of 2.36, 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-difluoropiperidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 118279344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).