2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine

C6H5ClINO — CID 162341579

IUPAC2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine
SMILES[2H]C([2H])([2H])Oc1ccc(I)nc1Cl
InChIInChI=1S/C6H5ClINO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3/i1D3
InChIKeyMPLOTJYNXWEZCW-FIBGUPNXSA-N
MW272.49 g/mol
LogP2.35
Rot. Bonds2

About 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine

2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine (PubChem CID 162341579) has the molecular formula C6H5ClINO and a molecular weight of 272.49 g/mol. Its IUPAC name is 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine
PubChem CID162341579
Molecular FormulaC6H5ClINO
Molecular Weight272.49 g/mol
Exact Mass271.93
IUPAC Name2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine
SMILES[2H]C([2H])([2H])Oc1ccc(I)nc1Cl
InChIInChI=1S/C6H5ClINO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3/i1D3
InChIKeyMPLOTJYNXWEZCW-FIBGUPNXSA-N
XLogP2.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.49
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-6-iodo-3-(trideuteriomethoxy)pyridine?
The IUPAC name of 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine (CID 162341579) is 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine.
What is the SMILES notation for 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine?
The canonical SMILES for 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine is [2H]C([2H])([2H])Oc1ccc(I)nc1Cl.
What is the InChIKey of 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine?
The InChIKey is MPLOTJYNXWEZCW-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H5ClINO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3/i1D3.
What are the key properties of 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine?
2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine has a molecular weight of 272.49 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine is sourced from PubChem (CID 162341579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).