5-(chloromethyl)-2-ethoxypyridine

C8H10ClNO — CID 10535190

IUPAC5-(chloromethyl)-2-ethoxypyridine
SMILESCCOc1ccc(CCl)cn1
InChIInChI=1S/C8H10ClNO/c1-2-11-8-4-3-7(5-9)6-10-8/h3-4,6H,2,5H2,1H3
InChIKeyAVPYKWBMFYRNSF-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.22
Rot. Bonds3

About 5-(chloromethyl)-2-ethoxypyridine

5-(chloromethyl)-2-ethoxypyridine (PubChem CID 10535190) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-(chloromethyl)-2-ethoxypyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-ethoxypyridine
PubChem CID10535190
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name5-(chloromethyl)-2-ethoxypyridine
SMILESCCOc1ccc(CCl)cn1
InChIInChI=1S/C8H10ClNO/c1-2-11-8-4-3-7(5-9)6-10-8/h3-4,6H,2,5H2,1H3
InChIKeyAVPYKWBMFYRNSF-UHFFFAOYSA-N
XLogP2.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-2-ethoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
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?
The IUPAC name of 5-(chloromethyl)-2-ethoxypyridine (CID 10535190) is 5-(chloromethyl)-2-ethoxypyridine.
What is the SMILES notation for 5-(chloromethyl)-2-ethoxypyridine?
The canonical SMILES for 5-(chloromethyl)-2-ethoxypyridine is CCOc1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-2-ethoxypyridine?
The InChIKey is AVPYKWBMFYRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-2-11-8-4-3-7(5-9)6-10-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-(chloromethyl)-2-ethoxypyridine?
5-(chloromethyl)-2-ethoxypyridine has a molecular weight of 171.63 g/mol, XLogP of 2.22, 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 is sourced from PubChem (CID 10535190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).