3,5-dichloro-4-(1-methoxyethyl)pyridine

C8H9Cl2NO — CID 145231321

IUPAC3,5-dichloro-4-(1-methoxyethyl)pyridine
SMILESCOC(C)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5(12-2)8-6(9)3-11-4-7(8)10/h3-5H,1-2H3
InChIKeyHIXAEATYAUZVQV-UHFFFAOYSA-N
MW206.07 g/mol
LogP3.10
Rot. Bonds2

About 3,5-dichloro-4-(1-methoxyethyl)pyridine

3,5-dichloro-4-(1-methoxyethyl)pyridine (PubChem CID 145231321) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 3,5-dichloro-4-(1-methoxyethyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-(1-methoxyethyl)pyridine
PubChem CID145231321
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name3,5-dichloro-4-(1-methoxyethyl)pyridine
SMILESCOC(C)c1c(Cl)cncc1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5(12-2)8-6(9)3-11-4-7(8)10/h3-5H,1-2H3
InChIKeyHIXAEATYAUZVQV-UHFFFAOYSA-N
XLogP3.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1-methoxyethyl)pyridine?
The IUPAC name of 3,5-dichloro-4-(1-methoxyethyl)pyridine (CID 145231321) is 3,5-dichloro-4-(1-methoxyethyl)pyridine.
What is the SMILES notation for 3,5-dichloro-4-(1-methoxyethyl)pyridine?
The canonical SMILES for 3,5-dichloro-4-(1-methoxyethyl)pyridine is COC(C)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-4-(1-methoxyethyl)pyridine?
The InChIKey is HIXAEATYAUZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-5(12-2)8-6(9)3-11-4-7(8)10/h3-5H,1-2H3.
What are the key properties of 3,5-dichloro-4-(1-methoxyethyl)pyridine?
3,5-dichloro-4-(1-methoxyethyl)pyridine has a molecular weight of 206.07 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1-methoxyethyl)pyridine is sourced from PubChem (CID 145231321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).