2-chloro-3-iodo-4-methoxypyridine

C6H5ClINO — CID 58053127

IUPAC2-chloro-3-iodo-4-methoxypyridine
SMILESCOc1ccnc(Cl)c1I
InChIInChI=1S/C6H5ClINO/c1-10-4-2-3-9-6(7)5(4)8/h2-3H,1H3
InChIKeyWUBPNICANLWJFS-UHFFFAOYSA-N
MW269.47 g/mol
LogP2.35
Rot. Bonds1

About 2-chloro-3-iodo-4-methoxypyridine

2-chloro-3-iodo-4-methoxypyridine (PubChem CID 58053127) has the molecular formula C6H5ClINO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-chloro-3-iodo-4-methoxypyridine.

Molecular Properties

Compound Name2-chloro-3-iodo-4-methoxypyridine
PubChem CID58053127
Molecular FormulaC6H5ClINO
Molecular Weight269.47 g/mol
Exact Mass268.91
IUPAC Name2-chloro-3-iodo-4-methoxypyridine
SMILESCOc1ccnc(Cl)c1I
InChIInChI=1S/C6H5ClINO/c1-10-4-2-3-9-6(7)5(4)8/h2-3H,1H3
InChIKeyWUBPNICANLWJFS-UHFFFAOYSA-N
XLogP2.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 52.35
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-chloro-3-iodo-4-methoxypyridine?
The IUPAC name of 2-chloro-3-iodo-4-methoxypyridine (CID 58053127) is 2-chloro-3-iodo-4-methoxypyridine.
What is the SMILES notation for 2-chloro-3-iodo-4-methoxypyridine?
The canonical SMILES for 2-chloro-3-iodo-4-methoxypyridine is COc1ccnc(Cl)c1I.
What is the InChIKey of 2-chloro-3-iodo-4-methoxypyridine?
The InChIKey is WUBPNICANLWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClINO/c1-10-4-2-3-9-6(7)5(4)8/h2-3H,1H3.
What are the key properties of 2-chloro-3-iodo-4-methoxypyridine?
2-chloro-3-iodo-4-methoxypyridine has a molecular weight of 269.47 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-iodo-4-methoxypyridine is sourced from PubChem (CID 58053127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).