2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile

C12H14Br2N4 — CID 113413629

IUPAC2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2ncc(Br)cc2Br)CC1
InChIInChI=1S/C12H14Br2N4/c1-9(7-15)17-2-4-18(5-3-17)12-11(14)6-10(13)8-16-12/h6,8-9H,2-5H2,1H3
InChIKeyMJHKHGZPBDGYSA-UHFFFAOYSA-N
MW374.08 g/mol
LogP2.64
Rot. Bonds2

About 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile

2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile (PubChem CID 113413629) has the molecular formula C12H14Br2N4 and a molecular weight of 374.08 g/mol. Its IUPAC name is 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile
PubChem CID113413629
Molecular FormulaC12H14Br2N4
Molecular Weight374.08 g/mol
Exact Mass371.96
IUPAC Name2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2ncc(Br)cc2Br)CC1
InChIInChI=1S/C12H14Br2N4/c1-9(7-15)17-2-4-18(5-3-17)12-11(14)6-10(13)8-16-12/h6,8-9H,2-5H2,1H3
InChIKeyMJHKHGZPBDGYSA-UHFFFAOYSA-N
XLogP2.64
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile
CID 65417963
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanenitrile
CID 60641606
2-[4-(4-bromophenyl)piperazin-1-yl]propanenitrile
CID 82124536
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
CID 103582224
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 63343573
2-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]propanenitrile
CID 116648272
4-bromo-2-[4-(1-cyanoethyl)piperazin-1-yl]benzonitrile
CID 114901226
8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
CID 113413836
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]propanenitrile
CID 115354846
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]butanenitrile
CID 63343842

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile (CID 113413629) is 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(c2ncc(Br)cc2Br)CC1.
What is the InChIKey of 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile?
The InChIKey is MJHKHGZPBDGYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4/c1-9(7-15)17-2-4-18(5-3-17)12-11(14)6-10(13)8-16-12/h6,8-9H,2-5H2,1H3.
What are the key properties of 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile?
2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile has a molecular weight of 374.08 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 113413629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).