5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile

C10H11FN4 — CID 123167672

IUPAC5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCCC(F)C2)cn1
InChIInChI=1S/C10H11FN4/c11-8-2-1-3-15(7-8)10-6-13-9(4-12)5-14-10/h5-6,8H,1-3,7H2
InChIKeyNQKWDHJTDSEXPL-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.29
Rot. Bonds1

About 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile

5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 123167672) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID123167672
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCCC(F)C2)cn1
InChIInChI=1S/C10H11FN4/c11-8-2-1-3-15(7-8)10-6-13-9(4-12)5-14-10/h5-6,8H,1-3,7H2
InChIKeyNQKWDHJTDSEXPL-UHFFFAOYSA-N
XLogP1.29
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile (CID 123167672) is 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile is N#Cc1cnc(N2CCCC(F)C2)cn1.
What is the InChIKey of 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is NQKWDHJTDSEXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-8-2-1-3-15(7-8)10-6-13-9(4-12)5-14-10/h5-6,8H,1-3,7H2.
What are the key properties of 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile?
5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 206.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 123167672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).