3,5-dichloro-4-(chloromethyl)pyridine

C6H4Cl3N — CID 22626853

IUPAC3,5-dichloro-4-(chloromethyl)pyridine
SMILESClCc1c(Cl)cncc1Cl
InChIInChI=1S/C6H4Cl3N/c7-1-4-5(8)2-10-3-6(4)9/h2-3H,1H2
InChIKeyWSCWUDUWNRNXBH-UHFFFAOYSA-N
MW196.46 g/mol
LogP3.13
Rot. Bonds1

About 3,5-dichloro-4-(chloromethyl)pyridine

3,5-dichloro-4-(chloromethyl)pyridine (PubChem CID 22626853) has the molecular formula C6H4Cl3N and a molecular weight of 196.46 g/mol. Its IUPAC name is 3,5-dichloro-4-(chloromethyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-(chloromethyl)pyridine
PubChem CID22626853
Molecular FormulaC6H4Cl3N
Molecular Weight196.46 g/mol
Exact Mass194.94
IUPAC Name3,5-dichloro-4-(chloromethyl)pyridine
SMILESClCc1c(Cl)cncc1Cl
InChIInChI=1S/C6H4Cl3N/c7-1-4-5(8)2-10-3-6(4)9/h2-3H,1H2
InChIKeyWSCWUDUWNRNXBH-UHFFFAOYSA-N
XLogP3.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(chloromethyl)pyridine?
The IUPAC name of 3,5-dichloro-4-(chloromethyl)pyridine (CID 22626853) is 3,5-dichloro-4-(chloromethyl)pyridine.
What is the SMILES notation for 3,5-dichloro-4-(chloromethyl)pyridine?
The canonical SMILES for 3,5-dichloro-4-(chloromethyl)pyridine is ClCc1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-4-(chloromethyl)pyridine?
The InChIKey is WSCWUDUWNRNXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3N/c7-1-4-5(8)2-10-3-6(4)9/h2-3H,1H2.
What are the key properties of 3,5-dichloro-4-(chloromethyl)pyridine?
3,5-dichloro-4-(chloromethyl)pyridine has a molecular weight of 196.46 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(chloromethyl)pyridine is sourced from PubChem (CID 22626853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).