2-chloro-4-ethoxypyridine

C7H8ClNO — CID 817238

IUPAC2-chloro-4-ethoxypyridine
SMILESCCOc1ccnc(Cl)c1
InChIInChI=1S/C7H8ClNO/c1-2-10-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
InChIKeyOFHQTZYEMRJMCT-UHFFFAOYSA-N
MW157.60 g/mol
LogP2.13
Rot. Bonds2

About 2-chloro-4-ethoxypyridine

2-chloro-4-ethoxypyridine (PubChem CID 817238) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-chloro-4-ethoxypyridine.

Molecular Properties

Compound Name2-chloro-4-ethoxypyridine
PubChem CID817238
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name2-chloro-4-ethoxypyridine
SMILESCCOc1ccnc(Cl)c1
InChIInChI=1S/C7H8ClNO/c1-2-10-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
InChIKeyOFHQTZYEMRJMCT-UHFFFAOYSA-N
XLogP2.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxypyridine?
The IUPAC name of 2-chloro-4-ethoxypyridine (CID 817238) is 2-chloro-4-ethoxypyridine.
What is the SMILES notation for 2-chloro-4-ethoxypyridine?
The canonical SMILES for 2-chloro-4-ethoxypyridine is CCOc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-ethoxypyridine?
The InChIKey is OFHQTZYEMRJMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-2-10-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxypyridine?
2-chloro-4-ethoxypyridine has a molecular weight of 157.60 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxypyridine is sourced from PubChem (CID 817238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).