5-iodo-N,3-dimethylpyridin-2-amine

C7H9IN2 — CID 37030063

IUPAC5-iodo-N,3-dimethylpyridin-2-amine
SMILESCNc1ncc(I)cc1C
InChIInChI=1S/C7H9IN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)
InChIKeyZHUKYUJCPFBDHP-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.04
Rot. Bonds1

About 5-iodo-N,3-dimethylpyridin-2-amine

5-iodo-N,3-dimethylpyridin-2-amine (PubChem CID 37030063) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 5-iodo-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-iodo-N,3-dimethylpyridin-2-amine
PubChem CID37030063
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name5-iodo-N,3-dimethylpyridin-2-amine
SMILESCNc1ncc(I)cc1C
InChIInChI=1S/C7H9IN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10)
InChIKeyZHUKYUJCPFBDHP-UHFFFAOYSA-N
XLogP2.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.04
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,3-dimethylpyridin-2-amine?
The IUPAC name of 5-iodo-N,3-dimethylpyridin-2-amine (CID 37030063) is 5-iodo-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-iodo-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-iodo-N,3-dimethylpyridin-2-amine is CNc1ncc(I)cc1C.
What is the InChIKey of 5-iodo-N,3-dimethylpyridin-2-amine?
The InChIKey is ZHUKYUJCPFBDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c1-5-3-6(8)4-10-7(5)9-2/h3-4H,1-2H3,(H,9,10).
What are the key properties of 5-iodo-N,3-dimethylpyridin-2-amine?
5-iodo-N,3-dimethylpyridin-2-amine has a molecular weight of 248.07 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 37030063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).