5-iodo-N,N,6-trimethylpyridin-2-amine

C8H11IN2 — CID 170247686

IUPAC5-iodo-N,N,6-trimethylpyridin-2-amine
SMILESCc1nc(N(C)C)ccc1I
InChIInChI=1S/C8H11IN2/c1-6-7(9)4-5-8(10-6)11(2)3/h4-5H,1-3H3
InChIKeyXCPQOTRGXMSQSZ-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.06
Rot. Bonds1

About 5-iodo-N,N,6-trimethylpyridin-2-amine

5-iodo-N,N,6-trimethylpyridin-2-amine (PubChem CID 170247686) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 5-iodo-N,N,6-trimethylpyridin-2-amine.

Molecular Properties

Compound Name5-iodo-N,N,6-trimethylpyridin-2-amine
PubChem CID170247686
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name5-iodo-N,N,6-trimethylpyridin-2-amine
SMILESCc1nc(N(C)C)ccc1I
InChIInChI=1S/C8H11IN2/c1-6-7(9)4-5-8(10-6)11(2)3/h4-5H,1-3H3
InChIKeyXCPQOTRGXMSQSZ-UHFFFAOYSA-N
XLogP2.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.06
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 5-iodo-N,N,6-trimethylpyridin-2-amine?
The IUPAC name of 5-iodo-N,N,6-trimethylpyridin-2-amine (CID 170247686) is 5-iodo-N,N,6-trimethylpyridin-2-amine.
What is the SMILES notation for 5-iodo-N,N,6-trimethylpyridin-2-amine?
The canonical SMILES for 5-iodo-N,N,6-trimethylpyridin-2-amine is Cc1nc(N(C)C)ccc1I.
What is the InChIKey of 5-iodo-N,N,6-trimethylpyridin-2-amine?
The InChIKey is XCPQOTRGXMSQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-6-7(9)4-5-8(10-6)11(2)3/h4-5H,1-3H3.
What are the key properties of 5-iodo-N,N,6-trimethylpyridin-2-amine?
5-iodo-N,N,6-trimethylpyridin-2-amine has a molecular weight of 262.09 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N,6-trimethylpyridin-2-amine is sourced from PubChem (CID 170247686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).