3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine

C11H15IN2O2 — CID 58962699

IUPAC3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine
SMILESCOc1cnc(C2CCOCC2)c(I)c1N
InChIInChI=1S/C11H15IN2O2/c1-15-8-6-14-11(9(12)10(8)13)7-2-4-16-5-3-7/h6-7H,2-5H2,1H3,(H2,13,14)
InChIKeyOTZBMAVIMMZORQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.17
Rot. Bonds2

About 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine

3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine (PubChem CID 58962699) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine
PubChem CID58962699
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine
SMILESCOc1cnc(C2CCOCC2)c(I)c1N
InChIInChI=1S/C11H15IN2O2/c1-15-8-6-14-11(9(12)10(8)13)7-2-4-16-5-3-7/h6-7H,2-5H2,1H3,(H2,13,14)
InChIKeyOTZBMAVIMMZORQ-UHFFFAOYSA-N
XLogP2.17
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.17
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 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine?
The IUPAC name of 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine (CID 58962699) is 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine.
What is the SMILES notation for 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine?
The canonical SMILES for 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine is COc1cnc(C2CCOCC2)c(I)c1N.
What is the InChIKey of 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine?
The InChIKey is OTZBMAVIMMZORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-15-8-6-14-11(9(12)10(8)13)7-2-4-16-5-3-7/h6-7H,2-5H2,1H3,(H2,13,14).
What are the key properties of 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine?
3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine has a molecular weight of 334.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxy-2-(oxan-4-yl)pyridin-4-amine is sourced from PubChem (CID 58962699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).