5-(chloromethyl)-2-ethoxypyridine;hydrochloride

C8H11Cl2NO — CID 21271667

IUPAC5-(chloromethyl)-2-ethoxypyridine;hydrochloride
SMILESCCOc1ccc(CCl)cn1.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-7(5-9)6-10-8;/h3-4,6H,2,5H2,1H3;1H
InChIKeyOPABDGWHSGMOCG-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.64
Rot. Bonds3

About 5-(chloromethyl)-2-ethoxypyridine;hydrochloride

5-(chloromethyl)-2-ethoxypyridine;hydrochloride (PubChem CID 21271667) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethoxypyridine;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethoxypyridine;hydrochloride
PubChem CID21271667
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name5-(chloromethyl)-2-ethoxypyridine;hydrochloride
SMILESCCOc1ccc(CCl)cn1.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-7(5-9)6-10-8;/h3-4,6H,2,5H2,1H3;1H
InChIKeyOPABDGWHSGMOCG-UHFFFAOYSA-N
XLogP2.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-ethoxypyridine
CID 10535190
5-[4-(chloromethyl)phenyl]-2-ethoxypyridine
CID 67173780
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
2-ethoxy-5-propylpyridine
CID 57169031
(6-ethoxy-3-pyridinyl)methanol
CID 10630706
2-[[5-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268981
[5-(chloromethyl)-2-pyridinyl] ethyl carbonate
CID 68955424
5-(chloromethyl)-2-(1-ethoxypropan-2-yloxy)pyridine
CID 103489448
5-chloro-2-ethoxypyridine
CID 4738274
5-(chloromethyl)-2-(4-methylcyclohexyl)oxypyridine
CID 61258072
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098
2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
CID 61268989

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-ethoxypyridine;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2-ethoxypyridine;hydrochloride (CID 21271667) is 5-(chloromethyl)-2-ethoxypyridine;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2-ethoxypyridine;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2-ethoxypyridine;hydrochloride is CCOc1ccc(CCl)cn1.Cl.
What is the InChIKey of 5-(chloromethyl)-2-ethoxypyridine;hydrochloride?
The InChIKey is OPABDGWHSGMOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-2-11-8-4-3-7(5-9)6-10-8;/h3-4,6H,2,5H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-2-ethoxypyridine;hydrochloride?
5-(chloromethyl)-2-ethoxypyridine;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-ethoxypyridine;hydrochloride is sourced from PubChem (CID 21271667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).