6-(3-iodophenyl)pyridin-2-amine

C11H9IN2 — CID 22752768

IUPAC6-(3-iodophenyl)pyridin-2-amine
SMILESNc1cccc(-c2cccc(I)c2)n1
InChIInChI=1S/C11H9IN2/c12-9-4-1-3-8(7-9)10-5-2-6-11(13)14-10/h1-7H,(H2,13,14)
InChIKeyFXJFAOWGKXYXCI-UHFFFAOYSA-N
MW296.11 g/mol
LogP2.94
Rot. Bonds1

About 6-(3-iodophenyl)pyridin-2-amine

6-(3-iodophenyl)pyridin-2-amine (PubChem CID 22752768) has the molecular formula C11H9IN2 and a molecular weight of 296.11 g/mol. Its IUPAC name is 6-(3-iodophenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3-iodophenyl)pyridin-2-amine
PubChem CID22752768
Molecular FormulaC11H9IN2
Molecular Weight296.11 g/mol
Exact Mass295.98
IUPAC Name6-(3-iodophenyl)pyridin-2-amine
SMILESNc1cccc(-c2cccc(I)c2)n1
InChIInChI=1S/C11H9IN2/c12-9-4-1-3-8(7-9)10-5-2-6-11(13)14-10/h1-7H,(H2,13,14)
InChIKeyFXJFAOWGKXYXCI-UHFFFAOYSA-N
XLogP2.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 52.94
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 6-(3-iodophenyl)pyridin-2-amine?
The IUPAC name of 6-(3-iodophenyl)pyridin-2-amine (CID 22752768) is 6-(3-iodophenyl)pyridin-2-amine.
What is the SMILES notation for 6-(3-iodophenyl)pyridin-2-amine?
The canonical SMILES for 6-(3-iodophenyl)pyridin-2-amine is Nc1cccc(-c2cccc(I)c2)n1.
What is the InChIKey of 6-(3-iodophenyl)pyridin-2-amine?
The InChIKey is FXJFAOWGKXYXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2/c12-9-4-1-3-8(7-9)10-5-2-6-11(13)14-10/h1-7H,(H2,13,14).
What are the key properties of 6-(3-iodophenyl)pyridin-2-amine?
6-(3-iodophenyl)pyridin-2-amine has a molecular weight of 296.11 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodophenyl)pyridin-2-amine is sourced from PubChem (CID 22752768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).