2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine

C9H10ClF2N3 — CID 121200767

IUPAC2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C9H10ClF2N3/c10-7-8(14-4-3-13-7)15-5-1-9(11,12)2-6-15/h3-4H,1-2,5-6H2
InChIKeyXXGDOSYAYIYCSY-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.37
Rot. Bonds1

About 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine

2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine (PubChem CID 121200767) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine
PubChem CID121200767
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine
SMILESFC1(F)CCN(c2nccnc2Cl)CC1
InChIInChI=1S/C9H10ClF2N3/c10-7-8(14-4-3-13-7)15-5-1-9(11,12)2-6-15/h3-4H,1-2,5-6H2
InChIKeyXXGDOSYAYIYCSY-UHFFFAOYSA-N
XLogP2.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-1-yl)pyrazine
CID 269231
3-(6-Chloropyrazin-2-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134791302
2-Chloro-3-(pyrrolidin-1-yl)pyrazine
CID 51072290
2-Chloro-6-(4-ethylpiperazin-1-yl)pyrazine
CID 53512534
2-Chloro-6-(4-methylpiperidin-1-yl)pyrazine
CID 25539137
1-(6-Chloropyrazin-2-yl)azepane
CID 53408186
N-butyl-6-chloro-N-methylpyrazin-2-amine
CID 53410844
2-[4-(Trifluoromethyl)piperidin-1-yl]pyrazine
CID 126851061
2-Chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
CID 86681768
2-Chloro-6-(4,4-difluoropiperidin-1-yl)pyrazine
CID 86725090
2-Bromo-5-(4,4-difluoro-1-piperidyl)pyrazine
CID 117770714
2-(4,4-Difluoropiperidin-1-yl)pyrazine
CID 121199090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine?
The IUPAC name of 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine (CID 121200767) is 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine is FC1(F)CCN(c2nccnc2Cl)CC1.
What is the InChIKey of 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine?
The InChIKey is XXGDOSYAYIYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3/c10-7-8(14-4-3-13-7)15-5-1-9(11,12)2-6-15/h3-4H,1-2,5-6H2.
What are the key properties of 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine?
2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine has a molecular weight of 233.65 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4,4-difluoropiperidin-1-yl)pyrazine is sourced from PubChem (CID 121200767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).