N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine

C13H12FIN2O — CID 154634240

IUPACN-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
SMILESCC(ONc1ccccn1)c1cc(F)ccc1I
InChIInChI=1S/C13H12FIN2O/c1-9(11-8-10(14)5-6-12(11)15)18-17-13-4-2-3-7-16-13/h2-9H,1H3,(H,16,17)
InChIKeyZZCAJTFVZVMXSN-UHFFFAOYSA-N
MW358.15 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine

N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine (PubChem CID 154634240) has the molecular formula C13H12FIN2O and a molecular weight of 358.15 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
PubChem CID154634240
Molecular FormulaC13H12FIN2O
Molecular Weight358.15 g/mol
Exact Mass358.00
IUPAC NameN-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine
SMILESCC(ONc1ccccn1)c1cc(F)ccc1I
InChIInChI=1S/C13H12FIN2O/c1-9(11-8-10(14)5-6-12(11)15)18-17-13-4-2-3-7-16-13/h2-9H,1H3,(H,16,17)
InChIKeyZZCAJTFVZVMXSN-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
The IUPAC name of N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine (CID 154634240) is N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine is CC(ONc1ccccn1)c1cc(F)ccc1I.
What is the InChIKey of N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
The InChIKey is ZZCAJTFVZVMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2O/c1-9(11-8-10(14)5-6-12(11)15)18-17-13-4-2-3-7-16-13/h2-9H,1H3,(H,16,17).
What are the key properties of N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine?
N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine has a molecular weight of 358.15 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-iodophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 154634240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).