3-iodo-N,1-dimethylpyridin-2-imine

C7H9IN2 — CID 167100786

IUPAC3-iodo-N,1-dimethylpyridin-2-imine
SMILESC/N=c1\c(I)cccn1C
InChIInChI=1S/C7H9IN2/c1-9-7-6(8)4-3-5-10(7)2/h3-5H,1-2H3/b9-7+
InChIKeyUOEUXSQDCBRUQY-VQHVLOKHSA-N
MW248.07 g/mol
LogP1.16
Rot. Bonds

About 3-iodo-N,1-dimethylpyridin-2-imine

3-iodo-N,1-dimethylpyridin-2-imine (PubChem CID 167100786) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 3-iodo-N,1-dimethylpyridin-2-imine.

Molecular Properties

Compound Name3-iodo-N,1-dimethylpyridin-2-imine
PubChem CID167100786
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name3-iodo-N,1-dimethylpyridin-2-imine
SMILESC/N=c1\c(I)cccn1C
InChIInChI=1S/C7H9IN2/c1-9-7-6(8)4-3-5-10(7)2/h3-5H,1-2H3/b9-7+
InChIKeyUOEUXSQDCBRUQY-VQHVLOKHSA-N
XLogP1.16
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.16
H-Bond Donors ≤ 50
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 3-iodo-N,1-dimethylpyridin-2-imine?
The IUPAC name of 3-iodo-N,1-dimethylpyridin-2-imine (CID 167100786) is 3-iodo-N,1-dimethylpyridin-2-imine.
What is the SMILES notation for 3-iodo-N,1-dimethylpyridin-2-imine?
The canonical SMILES for 3-iodo-N,1-dimethylpyridin-2-imine is C/N=c1\c(I)cccn1C.
What is the InChIKey of 3-iodo-N,1-dimethylpyridin-2-imine?
The InChIKey is UOEUXSQDCBRUQY-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H9IN2/c1-9-7-6(8)4-3-5-10(7)2/h3-5H,1-2H3/b9-7+.
What are the key properties of 3-iodo-N,1-dimethylpyridin-2-imine?
3-iodo-N,1-dimethylpyridin-2-imine has a molecular weight of 248.07 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N,1-dimethylpyridin-2-imine is sourced from PubChem (CID 167100786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).