N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine

C15H15IN2O2 — CID 58221515

IUPACN-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine
SMILESIc1ccc(OC2CCOC2)c(Nc2ccncc2)c1
InChIInChI=1S/C15H15IN2O2/c16-11-1-2-15(20-13-5-8-19-10-13)14(9-11)18-12-3-6-17-7-4-12/h1-4,6-7,9,13H,5,8,10H2,(H,17,18)
InChIKeyVGYWHRYTKTUOTR-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.60
Rot. Bonds4

About N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine

N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine (PubChem CID 58221515) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine
PubChem CID58221515
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine
SMILESIc1ccc(OC2CCOC2)c(Nc2ccncc2)c1
InChIInChI=1S/C15H15IN2O2/c16-11-1-2-15(20-13-5-8-19-10-13)14(9-11)18-12-3-6-17-7-4-12/h1-4,6-7,9,13H,5,8,10H2,(H,17,18)
InChIKeyVGYWHRYTKTUOTR-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine?
The IUPAC name of N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine (CID 58221515) is N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine.
What is the SMILES notation for N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine?
The canonical SMILES for N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine is Ic1ccc(OC2CCOC2)c(Nc2ccncc2)c1.
What is the InChIKey of N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine?
The InChIKey is VGYWHRYTKTUOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c16-11-1-2-15(20-13-5-8-19-10-13)14(9-11)18-12-3-6-17-7-4-12/h1-4,6-7,9,13H,5,8,10H2,(H,17,18).
What are the key properties of N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine?
N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine has a molecular weight of 382.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-iodo-2-(oxolan-3-yloxy)phenyl]pyridin-4-amine is sourced from PubChem (CID 58221515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).