5-iodo-2,3-dihydropyridin-2-amine

C5H7IN2 — CID 70935493

IUPAC5-iodo-2,3-dihydropyridin-2-amine
SMILESNC1CC=C(I)C=N1
InChIInChI=1S/C5H7IN2/c6-4-1-2-5(7)8-3-4/h1,3,5H,2,7H2
InChIKeyGSKYNMASEBHTOL-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.06
Rot. Bonds

About 5-iodo-2,3-dihydropyridin-2-amine

5-iodo-2,3-dihydropyridin-2-amine (PubChem CID 70935493) has the molecular formula C5H7IN2 and a molecular weight of 222.03 g/mol. Its IUPAC name is 5-iodo-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-iodo-2,3-dihydropyridin-2-amine
PubChem CID70935493
Molecular FormulaC5H7IN2
Molecular Weight222.03 g/mol
Exact Mass221.97
IUPAC Name5-iodo-2,3-dihydropyridin-2-amine
SMILESNC1CC=C(I)C=N1
InChIInChI=1S/C5H7IN2/c6-4-1-2-5(7)8-3-4/h1,3,5H,2,7H2
InChIKeyGSKYNMASEBHTOL-UHFFFAOYSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3-dihydropyridin-2-amine?
The IUPAC name of 5-iodo-2,3-dihydropyridin-2-amine (CID 70935493) is 5-iodo-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 5-iodo-2,3-dihydropyridin-2-amine?
The canonical SMILES for 5-iodo-2,3-dihydropyridin-2-amine is NC1CC=C(I)C=N1.
What is the InChIKey of 5-iodo-2,3-dihydropyridin-2-amine?
The InChIKey is GSKYNMASEBHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2/c6-4-1-2-5(7)8-3-4/h1,3,5H,2,7H2.
What are the key properties of 5-iodo-2,3-dihydropyridin-2-amine?
5-iodo-2,3-dihydropyridin-2-amine has a molecular weight of 222.03 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 70935493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).