1-(2-chloro-6-iodo-4-pyridinyl)piperazine

C9H11ClIN3 — CID 86054641

IUPAC1-(2-chloro-6-iodo-4-pyridinyl)piperazine
SMILESClc1cc(N2CCNCC2)cc(I)n1
InChIInChI=1S/C9H11ClIN3/c10-8-5-7(6-9(11)13-8)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyQDZUZNOIKAAGRQ-UHFFFAOYSA-N
MW323.57 g/mol
LogP1.75
Rot. Bonds1

About 1-(2-chloro-6-iodo-4-pyridinyl)piperazine

1-(2-chloro-6-iodo-4-pyridinyl)piperazine (PubChem CID 86054641) has the molecular formula C9H11ClIN3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 1-(2-chloro-6-iodo-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-6-iodo-4-pyridinyl)piperazine
PubChem CID86054641
Molecular FormulaC9H11ClIN3
Molecular Weight323.57 g/mol
Exact Mass322.97
IUPAC Name1-(2-chloro-6-iodo-4-pyridinyl)piperazine
SMILESClc1cc(N2CCNCC2)cc(I)n1
InChIInChI=1S/C9H11ClIN3/c10-8-5-7(6-9(11)13-8)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyQDZUZNOIKAAGRQ-UHFFFAOYSA-N
XLogP1.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-chloro-6-iodo-4-pyridinyl)piperazine 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

1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069
6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine
CID 19379437
1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine
CID 162142355
1-(3,5-dibromophenyl)piperazine
CID 21331858
1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
CID 121204773
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
CID 162584678
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
CID 95929569

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-iodo-4-pyridinyl)piperazine?
The IUPAC name of 1-(2-chloro-6-iodo-4-pyridinyl)piperazine (CID 86054641) is 1-(2-chloro-6-iodo-4-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-chloro-6-iodo-4-pyridinyl)piperazine?
The canonical SMILES for 1-(2-chloro-6-iodo-4-pyridinyl)piperazine is Clc1cc(N2CCNCC2)cc(I)n1.
What is the InChIKey of 1-(2-chloro-6-iodo-4-pyridinyl)piperazine?
The InChIKey is QDZUZNOIKAAGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClIN3/c10-8-5-7(6-9(11)13-8)14-3-1-12-2-4-14/h5-6,12H,1-4H2.
What are the key properties of 1-(2-chloro-6-iodo-4-pyridinyl)piperazine?
1-(2-chloro-6-iodo-4-pyridinyl)piperazine has a molecular weight of 323.57 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-iodo-4-pyridinyl)piperazine is sourced from PubChem (CID 86054641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).