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

C6H9IN2 — CID 90253035

IUPAC5-iodo-N-methyl-2,3-dihydropyridin-2-amine
SMILESCNC1CC=C(I)C=N1
InChIInChI=1S/C6H9IN2/c1-8-6-3-2-5(7)4-9-6/h2,4,6,8H,3H2,1H3
InChIKeyXFRRDNUEROKQFO-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.33
Rot. Bonds1

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

5-iodo-N-methyl-2,3-dihydropyridin-2-amine (PubChem CID 90253035) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 5-iodo-N-methyl-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-2,3-dihydropyridin-2-amine
PubChem CID90253035
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name5-iodo-N-methyl-2,3-dihydropyridin-2-amine
SMILESCNC1CC=C(I)C=N1
InChIInChI=1S/C6H9IN2/c1-8-6-3-2-5(7)4-9-6/h2,4,6,8H,3H2,1H3
InChIKeyXFRRDNUEROKQFO-UHFFFAOYSA-N
XLogP1.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.33
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-N-methyl-2,3-dihydropyridin-2-amine?
The IUPAC name of 5-iodo-N-methyl-2,3-dihydropyridin-2-amine (CID 90253035) is 5-iodo-N-methyl-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 5-iodo-N-methyl-2,3-dihydropyridin-2-amine?
The canonical SMILES for 5-iodo-N-methyl-2,3-dihydropyridin-2-amine is CNC1CC=C(I)C=N1.
What is the InChIKey of 5-iodo-N-methyl-2,3-dihydropyridin-2-amine?
The InChIKey is XFRRDNUEROKQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2/c1-8-6-3-2-5(7)4-9-6/h2,4,6,8H,3H2,1H3.
What are the key properties of 5-iodo-N-methyl-2,3-dihydropyridin-2-amine?
5-iodo-N-methyl-2,3-dihydropyridin-2-amine has a molecular weight of 236.06 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 90253035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).