3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride

C8H10Cl3NO — CID 67077285

IUPAC3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride
SMILESCOCc1cncc(Cl)c1CCl.Cl
InChIInChI=1S/C8H9Cl2NO.ClH/c1-12-5-6-3-11-4-8(10)7(6)2-9;/h3-4H,2,5H2,1H3;1H
InChIKeyWAOWTONUDLLJTO-UHFFFAOYSA-N
MW242.53 g/mol
LogP3.04
Rot. Bonds3

About 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride

3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride (PubChem CID 67077285) has the molecular formula C8H10Cl3NO and a molecular weight of 242.53 g/mol. Its IUPAC name is 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride
PubChem CID67077285
Molecular FormulaC8H10Cl3NO
Molecular Weight242.53 g/mol
Exact Mass240.98
IUPAC Name3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride
SMILESCOCc1cncc(Cl)c1CCl.Cl
InChIInChI=1S/C8H9Cl2NO.ClH/c1-12-5-6-3-11-4-8(10)7(6)2-9;/h3-4H,2,5H2,1H3;1H
InChIKeyWAOWTONUDLLJTO-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride?
The IUPAC name of 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride (CID 67077285) is 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride.
What is the SMILES notation for 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride?
The canonical SMILES for 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride is COCc1cncc(Cl)c1CCl.Cl.
What is the InChIKey of 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride?
The InChIKey is WAOWTONUDLLJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO.ClH/c1-12-5-6-3-11-4-8(10)7(6)2-9;/h3-4H,2,5H2,1H3;1H.
What are the key properties of 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride?
3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride has a molecular weight of 242.53 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(chloromethyl)-5-(methoxymethyl)pyridine;hydrochloride is sourced from PubChem (CID 67077285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).