4-(2-iodopropan-2-yl)pyridin-2-amine

C8H11IN2 — CID 155457227

IUPAC4-(2-iodopropan-2-yl)pyridin-2-amine
SMILESCC(C)(I)c1ccnc(N)c1
InChIInChI=1S/C8H11IN2/c1-8(2,9)6-3-4-11-7(10)5-6/h3-5H,1-2H3,(H2,10,11)
InChIKeyVNJFZEGLFVLXGH-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.33
Rot. Bonds1

About 4-(2-iodopropan-2-yl)pyridin-2-amine

4-(2-iodopropan-2-yl)pyridin-2-amine (PubChem CID 155457227) has the molecular formula C8H11IN2 and a molecular weight of 262.09 g/mol. Its IUPAC name is 4-(2-iodopropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-iodopropan-2-yl)pyridin-2-amine
PubChem CID155457227
Molecular FormulaC8H11IN2
Molecular Weight262.09 g/mol
Exact Mass262.00
IUPAC Name4-(2-iodopropan-2-yl)pyridin-2-amine
SMILESCC(C)(I)c1ccnc(N)c1
InChIInChI=1S/C8H11IN2/c1-8(2,9)6-3-4-11-7(10)5-6/h3-5H,1-2H3,(H2,10,11)
InChIKeyVNJFZEGLFVLXGH-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-iodopropan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(2-iodopropan-2-yl)pyridin-2-amine (CID 155457227) is 4-(2-iodopropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(2-iodopropan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(2-iodopropan-2-yl)pyridin-2-amine is CC(C)(I)c1ccnc(N)c1.
What is the InChIKey of 4-(2-iodopropan-2-yl)pyridin-2-amine?
The InChIKey is VNJFZEGLFVLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2/c1-8(2,9)6-3-4-11-7(10)5-6/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 4-(2-iodopropan-2-yl)pyridin-2-amine?
4-(2-iodopropan-2-yl)pyridin-2-amine has a molecular weight of 262.09 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodopropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 155457227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).