2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile

C14H18BrClN4 — CID 103582224

IUPAC2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C14H18BrClN4/c1-2-3-12(9-17)19-4-6-20(7-5-19)14-13(16)8-11(15)10-18-14/h8,10,12H,2-7H2,1H3
InChIKeyFCMLPTXRGTXHCL-UHFFFAOYSA-N
MW357.68 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile

2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile (PubChem CID 103582224) has the molecular formula C14H18BrClN4 and a molecular weight of 357.68 g/mol. Its IUPAC name is 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
PubChem CID103582224
Molecular FormulaC14H18BrClN4
Molecular Weight357.68 g/mol
Exact Mass356.04
IUPAC Name2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ncc(Br)cc2Cl)CC1
InChIInChI=1S/C14H18BrClN4/c1-2-3-12(9-17)19-4-6-20(7-5-19)14-13(16)8-11(15)10-18-14/h8,10,12H,2-7H2,1H3
InChIKeyFCMLPTXRGTXHCL-UHFFFAOYSA-N
XLogP3.31
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,5-dibromo-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 113413629
2-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]pentanenitrile
CID 114570663
2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pentanenitrile
CID 63343858
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 103582784
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701414
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]ethanamine
CID 103582181
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentanenitrile
CID 63343860
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 136973053
2-[4-(6-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pentanenitrile
CID 106972429
4-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 165434047
2-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 103582806
2-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]butanenitrile
CID 63343842

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile (CID 103582224) is 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2ncc(Br)cc2Cl)CC1.
What is the InChIKey of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile?
The InChIKey is FCMLPTXRGTXHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN4/c1-2-3-12(9-17)19-4-6-20(7-5-19)14-13(16)8-11(15)10-18-14/h8,10,12H,2-7H2,1H3.
What are the key properties of 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile?
2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile has a molecular weight of 357.68 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-3-chloro-2-pyridinyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 103582224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).