N-iodo-6-piperazin-1-ylpyridin-2-amine

C9H13IN4 — CID 166146222

IUPACN-iodo-6-piperazin-1-ylpyridin-2-amine
SMILESINc1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H13IN4/c10-13-8-2-1-3-9(12-8)14-6-4-11-5-7-14/h1-3,11H,4-7H2,(H,12,13)
InChIKeyQZVIUXOISKRLHM-UHFFFAOYSA-N
MW304.13 g/mol
LogP1.25
Rot. Bonds2

About N-iodo-6-piperazin-1-ylpyridin-2-amine

N-iodo-6-piperazin-1-ylpyridin-2-amine (PubChem CID 166146222) has the molecular formula C9H13IN4 and a molecular weight of 304.13 g/mol. Its IUPAC name is N-iodo-6-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-iodo-6-piperazin-1-ylpyridin-2-amine
PubChem CID166146222
Molecular FormulaC9H13IN4
Molecular Weight304.13 g/mol
Exact Mass304.02
IUPAC NameN-iodo-6-piperazin-1-ylpyridin-2-amine
SMILESINc1cccc(N2CCNCC2)n1
InChIInChI=1S/C9H13IN4/c10-13-8-2-1-3-9(12-8)14-6-4-11-5-7-14/h1-3,11H,4-7H2,(H,12,13)
InChIKeyQZVIUXOISKRLHM-UHFFFAOYSA-N
XLogP1.25
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-6-piperazin-1-ylpyridin-2-amine?
The IUPAC name of N-iodo-6-piperazin-1-ylpyridin-2-amine (CID 166146222) is N-iodo-6-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for N-iodo-6-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for N-iodo-6-piperazin-1-ylpyridin-2-amine is INc1cccc(N2CCNCC2)n1.
What is the InChIKey of N-iodo-6-piperazin-1-ylpyridin-2-amine?
The InChIKey is QZVIUXOISKRLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4/c10-13-8-2-1-3-9(12-8)14-6-4-11-5-7-14/h1-3,11H,4-7H2,(H,12,13).
What are the key properties of N-iodo-6-piperazin-1-ylpyridin-2-amine?
N-iodo-6-piperazin-1-ylpyridin-2-amine has a molecular weight of 304.13 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-6-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 166146222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).