2H-pyridin-1-amine;hydroiodide

C5H9IN2 — CID 19380138

IUPAC2H-pyridin-1-amine;hydroiodide
SMILESI.NN1C=CC=CC1
InChIInChI=1S/C5H8N2.HI/c6-7-4-2-1-3-5-7;/h1-4H,5-6H2;1H
InChIKeyKHYAYMJCCQLDOA-UHFFFAOYSA-N
MW224.04 g/mol
LogP0.86
Rot. Bonds

About 2H-pyridin-1-amine;hydroiodide

2H-pyridin-1-amine;hydroiodide (PubChem CID 19380138) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is 2H-pyridin-1-amine;hydroiodide.

Molecular Properties

Compound Name2H-pyridin-1-amine;hydroiodide
PubChem CID19380138
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Name2H-pyridin-1-amine;hydroiodide
SMILESI.NN1C=CC=CC1
InChIInChI=1S/C5H8N2.HI/c6-7-4-2-1-3-5-7;/h1-4H,5-6H2;1H
InChIKeyKHYAYMJCCQLDOA-UHFFFAOYSA-N
XLogP0.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridin-1-amine;hydroiodide?
The IUPAC name of 2H-pyridin-1-amine;hydroiodide (CID 19380138) is 2H-pyridin-1-amine;hydroiodide.
What is the SMILES notation for 2H-pyridin-1-amine;hydroiodide?
The canonical SMILES for 2H-pyridin-1-amine;hydroiodide is I.NN1C=CC=CC1.
What is the InChIKey of 2H-pyridin-1-amine;hydroiodide?
The InChIKey is KHYAYMJCCQLDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.HI/c6-7-4-2-1-3-5-7;/h1-4H,5-6H2;1H.
What are the key properties of 2H-pyridin-1-amine;hydroiodide?
2H-pyridin-1-amine;hydroiodide has a molecular weight of 224.04 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridin-1-amine;hydroiodide is sourced from PubChem (CID 19380138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).