3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile

C13H10BrFN4 — CID 133284298

IUPAC3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCc1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN4/c14-10-1-2-11(15)9(7-10)3-4-18-13-12(8-16)17-5-6-19-13/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyNHXDCOVIDNMLBF-UHFFFAOYSA-N
MW321.15 g/mol
LogP2.90
Rot. Bonds4

About 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile

3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile (PubChem CID 133284298) has the molecular formula C13H10BrFN4 and a molecular weight of 321.15 g/mol. Its IUPAC name is 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile
PubChem CID133284298
Molecular FormulaC13H10BrFN4
Molecular Weight321.15 g/mol
Exact Mass320.01
IUPAC Name3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCc1cc(Br)ccc1F
InChIInChI=1S/C13H10BrFN4/c14-10-1-2-11(15)9(7-10)3-4-18-13-12(8-16)17-5-6-19-13/h1-2,5-7H,3-4H2,(H,18,19)
InChIKeyNHXDCOVIDNMLBF-UHFFFAOYSA-N
XLogP2.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrimidin-4-yl]cyanamide
CID 115264714
3-[2-(2-chlorophenyl)ethylamino]pyrazine-2-carbonitrile
CID 133284402
3-[3-(2,4-dichlorophenyl)propylamino]pyrazine-2-carbonitrile
CID 133342192
6-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143395
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
2-[2-(5-bromo-2-fluorophenyl)ethylamino]-2-methylpropanenitrile
CID 115129621
3-[2-(2,4,6-trimethylphenyl)ethylamino]pyrazine-2-carbonitrile
CID 133283692
2-[2-(5-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 115130446
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
1-(3-cyanopyrazin-2-yl)-3-[2-(2-fluorophenyl)ethyl]thiourea
CID 19703623
N'-[2-(5-bromo-2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 115195477
N-[2-(5-bromo-2-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918871

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile (CID 133284298) is 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCCc1cc(Br)ccc1F.
What is the InChIKey of 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is NHXDCOVIDNMLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN4/c14-10-1-2-11(15)9(7-10)3-4-18-13-12(8-16)17-5-6-19-13/h1-2,5-7H,3-4H2,(H,18,19).
What are the key properties of 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile?
3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 321.15 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-bromo-2-fluorophenyl)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).