5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine

C16H12IN3O2 — CID 163762766

IUPAC5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine
SMILESNc1ccc(Oc2ccc(Oc3ccc(I)nc3)cc2)cn1
InChIInChI=1S/C16H12IN3O2/c17-15-7-5-13(9-19-15)21-11-1-3-12(4-2-11)22-14-6-8-16(18)20-10-14/h1-10H,(H2,18,20)
InChIKeyLZPUWFLHBGPIGN-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.25
Rot. Bonds4

About 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine

5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine (PubChem CID 163762766) has the molecular formula C16H12IN3O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine
PubChem CID163762766
Molecular FormulaC16H12IN3O2
Molecular Weight405.20 g/mol
Exact Mass405.00
IUPAC Name5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine
SMILESNc1ccc(Oc2ccc(Oc3ccc(I)nc3)cc2)cn1
InChIInChI=1S/C16H12IN3O2/c17-15-7-5-13(9-19-15)21-11-1-3-12(4-2-11)22-14-6-8-16(18)20-10-14/h1-10H,(H2,18,20)
InChIKeyLZPUWFLHBGPIGN-UHFFFAOYSA-N
XLogP4.25
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[4-(4-methylphenyl)phenoxy]pyridin-2-amine
CID 145045214
5-[(2-pyridin-4-yl-4-pyridinyl)oxy]pyridin-2-amine
CID 166069029
5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
5-iodopyridin-2-amine
CID 157150642
5-[(2-pyridin-2-yl-4-pyridinyl)oxy]pyridin-2-amine
CID 166780670
5-[(3-bromo-2-pyridinyl)oxy]pyridin-2-amine
CID 135246357
5-iodopyridin-2-amine;dihydroiodide
CID 139830080
2-[(6-iodo-3-pyridinyl)oxy]ethyl carbamate
CID 175114940
5-[[2-(1-methylimidazol-4-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 90403299
bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide
CID 19048490
5-[[2-(1-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]oxy]pyridin-2-amine
CID 166069028
5-octoxypyridin-2-amine
CID 43126983

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine?
The IUPAC name of 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine (CID 163762766) is 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine.
What is the SMILES notation for 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine?
The canonical SMILES for 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine is Nc1ccc(Oc2ccc(Oc3ccc(I)nc3)cc2)cn1.
What is the InChIKey of 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine?
The InChIKey is LZPUWFLHBGPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3O2/c17-15-7-5-13(9-19-15)21-11-1-3-12(4-2-11)22-14-6-8-16(18)20-10-14/h1-10H,(H2,18,20).
What are the key properties of 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine?
5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine has a molecular weight of 405.20 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-iodo-3-pyridinyl)oxy]phenoxy]pyridin-2-amine is sourced from PubChem (CID 163762766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).