4-iodo-2-methoxy-5-(methoxymethoxy)pyridine

C8H10INO3 — CID 12027785

IUPAC4-iodo-2-methoxy-5-(methoxymethoxy)pyridine
SMILESCOCOc1cnc(OC)cc1I
InChIInChI=1S/C8H10INO3/c1-11-5-13-7-4-10-8(12-2)3-6(7)9/h3-4H,5H2,1-2H3
InChIKeyNYXNHDHMWFJFCH-UHFFFAOYSA-N
MW295.08 g/mol
LogP1.68
Rot. Bonds4

About 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine

4-iodo-2-methoxy-5-(methoxymethoxy)pyridine (PubChem CID 12027785) has the molecular formula C8H10INO3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine.

Molecular Properties

Compound Name4-iodo-2-methoxy-5-(methoxymethoxy)pyridine
PubChem CID12027785
Molecular FormulaC8H10INO3
Molecular Weight295.08 g/mol
Exact Mass294.97
IUPAC Name4-iodo-2-methoxy-5-(methoxymethoxy)pyridine
SMILESCOCOc1cnc(OC)cc1I
InChIInChI=1S/C8H10INO3/c1-11-5-13-7-4-10-8(12-2)3-6(7)9/h3-4H,5H2,1-2H3
InChIKeyNYXNHDHMWFJFCH-UHFFFAOYSA-N
XLogP1.68
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine?
The IUPAC name of 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine (CID 12027785) is 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine.
What is the SMILES notation for 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine?
The canonical SMILES for 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine is COCOc1cnc(OC)cc1I.
What is the InChIKey of 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine?
The InChIKey is NYXNHDHMWFJFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO3/c1-11-5-13-7-4-10-8(12-2)3-6(7)9/h3-4H,5H2,1-2H3.
What are the key properties of 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine?
4-iodo-2-methoxy-5-(methoxymethoxy)pyridine has a molecular weight of 295.08 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methoxy-5-(methoxymethoxy)pyridine is sourced from PubChem (CID 12027785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).