4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine

C10H12ClNO — CID 83270118

IUPAC4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine
SMILESC/C=C/COc1cc(Cl)ncc1C
InChIInChI=1S/C10H12ClNO/c1-3-4-5-13-9-6-10(11)12-7-8(9)2/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyHLBSGGBQBMUESM-ONEGZZNKSA-N
MW197.66 g/mol
LogP3.00
Rot. Bonds3

About 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine

4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine (PubChem CID 83270118) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine
PubChem CID83270118
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine
SMILESC/C=C/COc1cc(Cl)ncc1C
InChIInChI=1S/C10H12ClNO/c1-3-4-5-13-9-6-10(11)12-7-8(9)2/h3-4,6-7H,5H2,1-2H3/b4-3+
InChIKeyHLBSGGBQBMUESM-ONEGZZNKSA-N
XLogP3.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine?
The IUPAC name of 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine (CID 83270118) is 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine?
The canonical SMILES for 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine is C/C=C/COc1cc(Cl)ncc1C.
What is the InChIKey of 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine?
The InChIKey is HLBSGGBQBMUESM-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-4-5-13-9-6-10(11)12-7-8(9)2/h3-4,6-7H,5H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine?
4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine has a molecular weight of 197.66 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine is sourced from PubChem (CID 83270118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).