2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine

C9H7Cl2F4NO — CID 106994494

IUPAC2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine
SMILESFC(F)C(F)(F)COCc1ccc(Cl)nc1Cl
InChIInChI=1S/C9H7Cl2F4NO/c10-6-2-1-5(7(11)16-6)3-17-4-9(14,15)8(12)13/h1-2,8H,3-4H2
InChIKeyZVQKIDVLNXVMST-UHFFFAOYSA-N
MW292.06 g/mol
LogP3.81
Rot. Bonds5

About 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine

2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine (PubChem CID 106994494) has the molecular formula C9H7Cl2F4NO and a molecular weight of 292.06 g/mol. Its IUPAC name is 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine
PubChem CID106994494
Molecular FormulaC9H7Cl2F4NO
Molecular Weight292.06 g/mol
Exact Mass290.98
IUPAC Name2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine
SMILESFC(F)C(F)(F)COCc1ccc(Cl)nc1Cl
InChIInChI=1S/C9H7Cl2F4NO/c10-6-2-1-5(7(11)16-6)3-17-4-9(14,15)8(12)13/h1-2,8H,3-4H2
InChIKeyZVQKIDVLNXVMST-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.06
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)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 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine (CID 106994494) is 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine is FC(F)C(F)(F)COCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine?
The InChIKey is ZVQKIDVLNXVMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F4NO/c10-6-2-1-5(7(11)16-6)3-17-4-9(14,15)8(12)13/h1-2,8H,3-4H2.
What are the key properties of 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine?
2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine has a molecular weight of 292.06 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridine is sourced from PubChem (CID 106994494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).