5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine

C9H9BrF3N3O — CID 167350738

IUPAC5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1nc(Br)cnc1OC1CCNC1
InChIInChI=1S/C9H9BrF3N3O/c10-6-4-15-8(7(16-6)9(11,12)13)17-5-1-2-14-3-5/h4-5,14H,1-3H2
InChIKeyDBJGHRQVZWINJP-UHFFFAOYSA-N
MW312.09 g/mol
LogP2.00
Rot. Bonds2

About 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine

5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine (PubChem CID 167350738) has the molecular formula C9H9BrF3N3O and a molecular weight of 312.09 g/mol. Its IUPAC name is 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine
PubChem CID167350738
Molecular FormulaC9H9BrF3N3O
Molecular Weight312.09 g/mol
Exact Mass310.99
IUPAC Name5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine
SMILESFC(F)(F)c1nc(Br)cnc1OC1CCNC1
InChIInChI=1S/C9H9BrF3N3O/c10-6-4-15-8(7(16-6)9(11,12)13)17-5-1-2-14-3-5/h4-5,14H,1-3H2
InChIKeyDBJGHRQVZWINJP-UHFFFAOYSA-N
XLogP2.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-ethyl-2-pyrrolidin-3-yloxypyrazine
CID 167350866
5-bromo-3-methoxy-2-piperidin-3-yloxypyrazine
CID 131278584
3,5-difluoro-2-pyrrolidin-3-yloxypyridine
CID 67479860
3-bromo-5-methyl-2-pyrrolidin-3-yloxypyridine
CID 105368575
3,5-dichloro-2-pyrrolidin-3-yloxypyridine
CID 62347674
[2-pyrrolidin-3-yloxy-5-(trifluoromethyl)-3-pyridinyl] 2,2,2-trifluoroacetate
CID 166004474
2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine
CID 118464443
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406855
5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine
CID 71643584
5-bromo-1-pyrrolidin-3-yloxyisoquinoline
CID 106541999
5-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 71303659
4-bromo-2-pyrrolidin-3-yloxy-1,3-thiazole
CID 79400429

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine?
The IUPAC name of 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine (CID 167350738) is 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine.
What is the SMILES notation for 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine?
The canonical SMILES for 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine is FC(F)(F)c1nc(Br)cnc1OC1CCNC1.
What is the InChIKey of 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine?
The InChIKey is DBJGHRQVZWINJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3N3O/c10-6-4-15-8(7(16-6)9(11,12)13)17-5-1-2-14-3-5/h4-5,14H,1-3H2.
What are the key properties of 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine?
5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine has a molecular weight of 312.09 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine is sourced from PubChem (CID 167350738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).