2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine

C12H11ClFNO — CID 167426997

IUPAC2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine
SMILESCC1OCCC1C#Cc1cnc(Cl)cc1F
InChIInChI=1S/C12H11ClFNO/c1-8-9(4-5-16-8)2-3-10-7-15-12(13)6-11(10)14/h6-9H,4-5H2,1H3
InChIKeyWFRMJLRFIYJVQU-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.65
Rot. Bonds

About 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine

2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine (PubChem CID 167426997) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine
PubChem CID167426997
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine
SMILESCC1OCCC1C#Cc1cnc(Cl)cc1F
InChIInChI=1S/C12H11ClFNO/c1-8-9(4-5-16-8)2-3-10-7-15-12(13)6-11(10)14/h6-9H,4-5H2,1H3
InChIKeyWFRMJLRFIYJVQU-UHFFFAOYSA-N
XLogP2.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine 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-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine?
The IUPAC name of 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine (CID 167426997) is 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine.
What is the SMILES notation for 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine?
The canonical SMILES for 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine is CC1OCCC1C#Cc1cnc(Cl)cc1F.
What is the InChIKey of 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine?
The InChIKey is WFRMJLRFIYJVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-8-9(4-5-16-8)2-3-10-7-15-12(13)6-11(10)14/h6-9H,4-5H2,1H3.
What are the key properties of 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine?
2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine has a molecular weight of 239.68 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[2-(2-methyloxolan-3-yl)ethynyl]pyridine is sourced from PubChem (CID 167426997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).