5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine

C10H12BrF2N3 — CID 167713490

IUPAC5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
SMILESCc1nc(Br)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H12BrF2N3/c1-7-9(14-6-8(11)15-7)16-4-2-10(12,13)3-5-16/h6H,2-5H2,1H3
InChIKeyXNKGQRSVIHYZTH-UHFFFAOYSA-N
MW292.13 g/mol
LogP2.78
Rot. Bonds1

About 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine

5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine (PubChem CID 167713490) has the molecular formula C10H12BrF2N3 and a molecular weight of 292.13 g/mol. Its IUPAC name is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine.

Molecular Properties

Compound Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
PubChem CID167713490
Molecular FormulaC10H12BrF2N3
Molecular Weight292.13 g/mol
Exact Mass291.02
IUPAC Name5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine
SMILESCc1nc(Br)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H12BrF2N3/c1-7-9(14-6-8(11)15-7)16-4-2-10(12,13)3-5-16/h6H,2-5H2,1H3
InChIKeyXNKGQRSVIHYZTH-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The IUPAC name of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine (CID 167713490) is 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine.
What is the SMILES notation for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The canonical SMILES for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine is Cc1nc(Br)cnc1N1CCC(F)(F)CC1.
What is the InChIKey of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
The InChIKey is XNKGQRSVIHYZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N3/c1-7-9(14-6-8(11)15-7)16-4-2-10(12,13)3-5-16/h6H,2-5H2,1H3.
What are the key properties of 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine?
5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine has a molecular weight of 292.13 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,4-difluoropiperidin-1-yl)-3-methylpyrazine is sourced from PubChem (CID 167713490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).