5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine

C12H10ClIN2O — CID 55127794

IUPAC5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccc(I)cc2)n1
InChIInChI=1S/C12H10ClIN2O/c13-10-5-6-12(15)16-11(10)7-17-9-3-1-8(14)2-4-9/h1-6H,7H2,(H2,15,16)
InChIKeyLRHKFIUILQHMQB-UHFFFAOYSA-N
MW360.58 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine

5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine (PubChem CID 55127794) has the molecular formula C12H10ClIN2O and a molecular weight of 360.58 g/mol. Its IUPAC name is 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
PubChem CID55127794
Molecular FormulaC12H10ClIN2O
Molecular Weight360.58 g/mol
Exact Mass359.95
IUPAC Name5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(COc2ccc(I)cc2)n1
InChIInChI=1S/C12H10ClIN2O/c13-10-5-6-12(15)16-11(10)7-17-9-3-1-8(14)2-4-9/h1-6H,7H2,(H2,15,16)
InChIKeyLRHKFIUILQHMQB-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine (CID 55127794) is 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine is Nc1ccc(Cl)c(COc2ccc(I)cc2)n1.
What is the InChIKey of 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine?
The InChIKey is LRHKFIUILQHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2O/c13-10-5-6-12(15)16-11(10)7-17-9-3-1-8(14)2-4-9/h1-6H,7H2,(H2,15,16).
What are the key properties of 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine?
5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine has a molecular weight of 360.58 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-iodophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55127794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).