2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine

C9H11ClFNO — CID 88867112

IUPAC2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine
SMILESCCOCc1cc(F)c(C)nc1Cl
InChIInChI=1S/C9H11ClFNO/c1-3-13-5-7-4-8(11)6(2)12-9(7)10/h4H,3,5H2,1-2H3
InChIKeyVVFDYUHNEQCGSK-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.72
Rot. Bonds3

About 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine

2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine (PubChem CID 88867112) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine.

Molecular Properties

Compound Name2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine
PubChem CID88867112
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine
SMILESCCOCc1cc(F)c(C)nc1Cl
InChIInChI=1S/C9H11ClFNO/c1-3-13-5-7-4-8(11)6(2)12-9(7)10/h4H,3,5H2,1-2H3
InChIKeyVVFDYUHNEQCGSK-UHFFFAOYSA-N
XLogP2.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-3-(ethoxymethyl)-5-fluoro-6-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 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine?
The IUPAC name of 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine (CID 88867112) is 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine.
What is the SMILES notation for 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine?
The canonical SMILES for 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine is CCOCc1cc(F)c(C)nc1Cl.
What is the InChIKey of 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine?
The InChIKey is VVFDYUHNEQCGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-3-13-5-7-4-8(11)6(2)12-9(7)10/h4H,3,5H2,1-2H3.
What are the key properties of 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine?
2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine has a molecular weight of 203.64 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(ethoxymethyl)-5-fluoro-6-methylpyridine is sourced from PubChem (CID 88867112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).