2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane

C11H16BrF2N3 — CID 145049236

IUPAC2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane
SMILESCC.CC1CN(c2cnc(Br)cn2)CC1(F)F
InChIInChI=1S/C9H10BrF2N3.C2H6/c1-6-4-15(5-9(6,11)12)8-3-13-7(10)2-14-8;1-2/h2-3,6H,4-5H2,1H3;1-2H3
InChIKeyRGGTVQMWKOZOSN-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.36
Rot. Bonds1

About 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane

2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane (PubChem CID 145049236) has the molecular formula C11H16BrF2N3 and a molecular weight of 308.17 g/mol. Its IUPAC name is 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane.

Molecular Properties

Compound Name2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane
PubChem CID145049236
Molecular FormulaC11H16BrF2N3
Molecular Weight308.17 g/mol
Exact Mass307.05
IUPAC Name2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane
SMILESCC.CC1CN(c2cnc(Br)cn2)CC1(F)F
InChIInChI=1S/C9H10BrF2N3.C2H6/c1-6-4-15(5-9(6,11)12)8-3-13-7(10)2-14-8;1-2/h2-3,6H,4-5H2,1H3;1-2H3
InChIKeyRGGTVQMWKOZOSN-UHFFFAOYSA-N
XLogP3.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]methyl]pyrazin-2-amine
CID 164629971
2-Bromo-5-(4,4-difluoro-1-piperidyl)pyrazine
CID 117770714
3-(5-Bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 118961330
2-(3,3-Difluoropyrrolidin-1-yl)pyrazine
CID 122269216
2-Bromo-6-(3-fluoropyrrolidin-1-yl)pyrazine
CID 156766269
2-bromo-5-[(3S)-3-fluoropyrrolidin-1-yl]pyrazine
CID 166475134
2-Bromo-6-(3,3-difluoropyrrolidin-1-yl)pyrazine
CID 167713472
2-Bromo-6-(4,4-difluoropiperidin-1-yl)pyrazine
CID 167713473
2-Bromo-5-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
CID 168753018
2-bromo-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazine
CID 168879168
1-(4-Bromo-1-methylimidazol-2-yl)-4,4-difluoropiperidine
CID 169266422
2-Bromo-5-(3-fluoropyrrolidin-1-yl)pyrazine
CID 169708282

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane?
The IUPAC name of 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane (CID 145049236) is 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane.
What is the SMILES notation for 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane?
The canonical SMILES for 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane is CC.CC1CN(c2cnc(Br)cn2)CC1(F)F.
What is the InChIKey of 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane?
The InChIKey is RGGTVQMWKOZOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3.C2H6/c1-6-4-15(5-9(6,11)12)8-3-13-7(10)2-14-8;1-2/h2-3,6H,4-5H2,1H3;1-2H3.
What are the key properties of 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane?
2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane has a molecular weight of 308.17 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3,3-difluoro-4-methylpyrrolidin-1-yl)pyrazine;ethane is sourced from PubChem (CID 145049236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).