2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C14H17BrF2N2 — CID 79929189

IUPAC2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESFc1cc(F)c(N2CCN3CCCCC3C2)c(Br)c1
InChIInChI=1S/C14H17BrF2N2/c15-12-7-10(16)8-13(17)14(12)19-6-5-18-4-2-1-3-11(18)9-19/h7-8,11H,1-6,9H2
InChIKeyYXEUFXBOAAIAMR-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.40
Rot. Bonds1

About 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79929189) has the molecular formula C14H17BrF2N2 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79929189
Molecular FormulaC14H17BrF2N2
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESFc1cc(F)c(N2CCN3CCCCC3C2)c(Br)c1
InChIInChI=1S/C14H17BrF2N2/c15-12-7-10(16)8-13(17)14(12)19-6-5-18-4-2-1-3-11(18)9-19/h7-8,11H,1-6,9H2
InChIKeyYXEUFXBOAAIAMR-UHFFFAOYSA-N
XLogP3.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine with MolForge

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Related Compounds

4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3,5-difluoroaniline
CID 68696444
2-(2,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929599
2-(2-bromo-4,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939297
1-[4-(bromomethyl)-2,6-difluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 107083312
4-bromo-2-(4-cyclopentylpiperazin-1-yl)-5-fluoroaniline
CID 116735846
2-(4-fluoro-3-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929197
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorobenzonitrile
CID 79025973
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3,5-difluorobenzonitrile
CID 95622926
3,5-difluoro-4-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 78949602
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 115506976
4-(2-bromo-4,6-difluorophenyl)morpholine
CID 84714714
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methanol
CID 79934838

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79929189) is 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Fc1cc(F)c(N2CCN3CCCCC3C2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is YXEUFXBOAAIAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N2/c15-12-7-10(16)8-13(17)14(12)19-6-5-18-4-2-1-3-11(18)9-19/h7-8,11H,1-6,9H2.
What are the key properties of 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 331.20 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79929189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).