2,6-dichloro-4-methoxypyridine

C6H5Cl2NO — CID 3319993

IUPAC2,6-dichloro-4-methoxypyridine
SMILESCOc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H5Cl2NO/c1-10-4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeyMMQWWYZZOZBFHY-UHFFFAOYSA-N
MW178.02 g/mol
LogP2.40
Rot. Bonds1

About 2,6-dichloro-4-methoxypyridine

2,6-dichloro-4-methoxypyridine (PubChem CID 3319993) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 2,6-dichloro-4-methoxypyridine.

Molecular Properties

Compound Name2,6-dichloro-4-methoxypyridine
PubChem CID3319993
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name2,6-dichloro-4-methoxypyridine
SMILESCOc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C6H5Cl2NO/c1-10-4-2-5(7)9-6(8)3-4/h2-3H,1H3
InChIKeyMMQWWYZZOZBFHY-UHFFFAOYSA-N
XLogP2.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methoxypyridine?
The IUPAC name of 2,6-dichloro-4-methoxypyridine (CID 3319993) is 2,6-dichloro-4-methoxypyridine.
What is the SMILES notation for 2,6-dichloro-4-methoxypyridine?
The canonical SMILES for 2,6-dichloro-4-methoxypyridine is COc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-methoxypyridine?
The InChIKey is MMQWWYZZOZBFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c1-10-4-2-5(7)9-6(8)3-4/h2-3H,1H3.
What are the key properties of 2,6-dichloro-4-methoxypyridine?
2,6-dichloro-4-methoxypyridine has a molecular weight of 178.02 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methoxypyridine is sourced from PubChem (CID 3319993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).