2,5-dichloro-4-iodo-3-methoxypyridine

C6H4Cl2INO — CID 50989199

IUPAC2,5-dichloro-4-iodo-3-methoxypyridine
SMILESCOc1c(Cl)ncc(Cl)c1I
InChIInChI=1S/C6H4Cl2INO/c1-11-5-4(9)3(7)2-10-6(5)8/h2H,1H3
InChIKeyQYJDLVDZZPZJAH-UHFFFAOYSA-N
MW303.91 g/mol
LogP3.00
Rot. Bonds1

About 2,5-dichloro-4-iodo-3-methoxypyridine

2,5-dichloro-4-iodo-3-methoxypyridine (PubChem CID 50989199) has the molecular formula C6H4Cl2INO and a molecular weight of 303.91 g/mol. Its IUPAC name is 2,5-dichloro-4-iodo-3-methoxypyridine.

Molecular Properties

Compound Name2,5-dichloro-4-iodo-3-methoxypyridine
PubChem CID50989199
Molecular FormulaC6H4Cl2INO
Molecular Weight303.91 g/mol
Exact Mass302.87
IUPAC Name2,5-dichloro-4-iodo-3-methoxypyridine
SMILESCOc1c(Cl)ncc(Cl)c1I
InChIInChI=1S/C6H4Cl2INO/c1-11-5-4(9)3(7)2-10-6(5)8/h2H,1H3
InChIKeyQYJDLVDZZPZJAH-UHFFFAOYSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.91
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-iodo-3-methoxypyridine?
The IUPAC name of 2,5-dichloro-4-iodo-3-methoxypyridine (CID 50989199) is 2,5-dichloro-4-iodo-3-methoxypyridine.
What is the SMILES notation for 2,5-dichloro-4-iodo-3-methoxypyridine?
The canonical SMILES for 2,5-dichloro-4-iodo-3-methoxypyridine is COc1c(Cl)ncc(Cl)c1I.
What is the InChIKey of 2,5-dichloro-4-iodo-3-methoxypyridine?
The InChIKey is QYJDLVDZZPZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2INO/c1-11-5-4(9)3(7)2-10-6(5)8/h2H,1H3.
What are the key properties of 2,5-dichloro-4-iodo-3-methoxypyridine?
2,5-dichloro-4-iodo-3-methoxypyridine has a molecular weight of 303.91 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-iodo-3-methoxypyridine is sourced from PubChem (CID 50989199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).