3,4-dichloro-5-methoxypyridine

C6H5Cl2NO — CID 122362461

IUPAC3,4-dichloro-5-methoxypyridine
SMILESCOc1cncc(Cl)c1Cl
InChIInChI=1S/C6H5Cl2NO/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3
InChIKeyNQPCOQKNZVMOFN-UHFFFAOYSA-N
MW178.02 g/mol
LogP2.40
Rot. Bonds1

About 3,4-dichloro-5-methoxypyridine

3,4-dichloro-5-methoxypyridine (PubChem CID 122362461) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 3,4-dichloro-5-methoxypyridine.

Molecular Properties

Compound Name3,4-dichloro-5-methoxypyridine
PubChem CID122362461
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name3,4-dichloro-5-methoxypyridine
SMILESCOc1cncc(Cl)c1Cl
InChIInChI=1S/C6H5Cl2NO/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3
InChIKeyNQPCOQKNZVMOFN-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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methoxypyridine?
The IUPAC name of 3,4-dichloro-5-methoxypyridine (CID 122362461) is 3,4-dichloro-5-methoxypyridine.
What is the SMILES notation for 3,4-dichloro-5-methoxypyridine?
The canonical SMILES for 3,4-dichloro-5-methoxypyridine is COc1cncc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methoxypyridine?
The InChIKey is NQPCOQKNZVMOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3.
What are the key properties of 3,4-dichloro-5-methoxypyridine?
3,4-dichloro-5-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 3,4-dichloro-5-methoxypyridine is sourced from PubChem (CID 122362461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).