3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride

C6H8Cl3N — CID 23035063

IUPAC3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride
SMILESCl.ClCC1(Cl)C=CC=NC1
InChIInChI=1S/C6H7Cl2N.ClH/c7-4-6(8)2-1-3-9-5-6;/h1-3H,4-5H2;1H
InChIKeyJZLGIPQAYMGFQO-UHFFFAOYSA-N
MW200.50 g/mol
LogP2.27
Rot. Bonds1

About 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride

3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride (PubChem CID 23035063) has the molecular formula C6H8Cl3N and a molecular weight of 200.50 g/mol. Its IUPAC name is 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride
PubChem CID23035063
Molecular FormulaC6H8Cl3N
Molecular Weight200.50 g/mol
Exact Mass198.97
IUPAC Name3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride
SMILESCl.ClCC1(Cl)C=CC=NC1
InChIInChI=1S/C6H7Cl2N.ClH/c7-4-6(8)2-1-3-9-5-6;/h1-3H,4-5H2;1H
InChIKeyJZLGIPQAYMGFQO-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.50
LogP ≤ 52.27
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-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride?
The IUPAC name of 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride (CID 23035063) is 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride.
What is the SMILES notation for 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride?
The canonical SMILES for 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride is Cl.ClCC1(Cl)C=CC=NC1.
What is the InChIKey of 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride?
The InChIKey is JZLGIPQAYMGFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N.ClH/c7-4-6(8)2-1-3-9-5-6;/h1-3H,4-5H2;1H.
What are the key properties of 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride?
3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride has a molecular weight of 200.50 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(chloromethyl)-2H-pyridine;hydrochloride is sourced from PubChem (CID 23035063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).