3-(chloromethyl)-2-ethylpyridine;hydrochloride

C8H11Cl2N — CID 142546922

IUPAC3-(chloromethyl)-2-ethylpyridine;hydrochloride
SMILESCCc1ncccc1CCl.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-2-8-7(6-9)4-3-5-10-8;/h3-5H,2,6H2,1H3;1H
InChIKeyZJERSVAYIQLZRH-UHFFFAOYSA-N
MW192.09 g/mol
LogP2.80
Rot. Bonds2

About 3-(chloromethyl)-2-ethylpyridine;hydrochloride

3-(chloromethyl)-2-ethylpyridine;hydrochloride (PubChem CID 142546922) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 3-(chloromethyl)-2-ethylpyridine;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-2-ethylpyridine;hydrochloride
PubChem CID142546922
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name3-(chloromethyl)-2-ethylpyridine;hydrochloride
SMILESCCc1ncccc1CCl.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-2-8-7(6-9)4-3-5-10-8;/h3-5H,2,6H2,1H3;1H
InChIKeyZJERSVAYIQLZRH-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 52.80
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-(chloromethyl)-2-ethylpyridine;hydrochloride?
The IUPAC name of 3-(chloromethyl)-2-ethylpyridine;hydrochloride (CID 142546922) is 3-(chloromethyl)-2-ethylpyridine;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-2-ethylpyridine;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-2-ethylpyridine;hydrochloride is CCc1ncccc1CCl.Cl.
What is the InChIKey of 3-(chloromethyl)-2-ethylpyridine;hydrochloride?
The InChIKey is ZJERSVAYIQLZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.ClH/c1-2-8-7(6-9)4-3-5-10-8;/h3-5H,2,6H2,1H3;1H.
What are the key properties of 3-(chloromethyl)-2-ethylpyridine;hydrochloride?
3-(chloromethyl)-2-ethylpyridine;hydrochloride has a molecular weight of 192.09 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-ethylpyridine;hydrochloride is sourced from PubChem (CID 142546922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).