2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol

C12H10F2I2N2O3 — CID 159003485

IUPAC2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol
SMILESCOCOc1cnc(F)cc1I.Oc1cnc(F)cc1I
InChIInChI=1S/C7H7FINO2.C5H3FINO/c1-11-4-12-6-3-10-7(8)2-5(6)9;6-5-1-3(7)4(9)2-8-5/h2-3H,4H2,1H3;1-2,9H
InChIKeyJRQARSLIVWLHFY-UHFFFAOYSA-N
MW522.03 g/mol
LogP3.34
Rot. Bonds3

About 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol

2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol (PubChem CID 159003485) has the molecular formula C12H10F2I2N2O3 and a molecular weight of 522.03 g/mol. Its IUPAC name is 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol.

Molecular Properties

Compound Name2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol
PubChem CID159003485
Molecular FormulaC12H10F2I2N2O3
Molecular Weight522.03 g/mol
Exact Mass521.87
IUPAC Name2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol
SMILESCOCOc1cnc(F)cc1I.Oc1cnc(F)cc1I
InChIInChI=1S/C7H7FINO2.C5H3FINO/c1-11-4-12-6-3-10-7(8)2-5(6)9;6-5-1-3(7)4(9)2-8-5/h2-3H,4H2,1H3;1-2,9H
InChIKeyJRQARSLIVWLHFY-UHFFFAOYSA-N
XLogP3.34
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol?
The IUPAC name of 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol (CID 159003485) is 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol.
What is the SMILES notation for 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol?
The canonical SMILES for 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol is COCOc1cnc(F)cc1I.Oc1cnc(F)cc1I.
What is the InChIKey of 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol?
The InChIKey is JRQARSLIVWLHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FINO2.C5H3FINO/c1-11-4-12-6-3-10-7(8)2-5(6)9;6-5-1-3(7)4(9)2-8-5/h2-3H,4H2,1H3;1-2,9H.
What are the key properties of 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol?
2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol has a molecular weight of 522.03 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-iodo-5-(methoxymethoxy)pyridine;6-fluoro-4-iodopyridin-3-ol is sourced from PubChem (CID 159003485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).