2-chloro-6-(diethoxymethyl)-3-fluoropyridine

C10H13ClFNO2 — CID 118162409

IUPAC2-chloro-6-(diethoxymethyl)-3-fluoropyridine
SMILESCCOC(OCC)c1ccc(F)c(Cl)n1
InChIInChI=1S/C10H13ClFNO2/c1-3-14-10(15-4-2)8-6-5-7(12)9(11)13-8/h5-6,10H,3-4H2,1-2H3
InChIKeyIPXIRECOYFNZDT-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.95
Rot. Bonds5

About 2-chloro-6-(diethoxymethyl)-3-fluoropyridine

2-chloro-6-(diethoxymethyl)-3-fluoropyridine (PubChem CID 118162409) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-chloro-6-(diethoxymethyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-chloro-6-(diethoxymethyl)-3-fluoropyridine
PubChem CID118162409
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name2-chloro-6-(diethoxymethyl)-3-fluoropyridine
SMILESCCOC(OCC)c1ccc(F)c(Cl)n1
InChIInChI=1S/C10H13ClFNO2/c1-3-14-10(15-4-2)8-6-5-7(12)9(11)13-8/h5-6,10H,3-4H2,1-2H3
InChIKeyIPXIRECOYFNZDT-UHFFFAOYSA-N
XLogP2.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(diethoxymethyl)-3-fluoropyridine?
The IUPAC name of 2-chloro-6-(diethoxymethyl)-3-fluoropyridine (CID 118162409) is 2-chloro-6-(diethoxymethyl)-3-fluoropyridine.
What is the SMILES notation for 2-chloro-6-(diethoxymethyl)-3-fluoropyridine?
The canonical SMILES for 2-chloro-6-(diethoxymethyl)-3-fluoropyridine is CCOC(OCC)c1ccc(F)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(diethoxymethyl)-3-fluoropyridine?
The InChIKey is IPXIRECOYFNZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-3-14-10(15-4-2)8-6-5-7(12)9(11)13-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 2-chloro-6-(diethoxymethyl)-3-fluoropyridine?
2-chloro-6-(diethoxymethyl)-3-fluoropyridine has a molecular weight of 233.67 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(diethoxymethyl)-3-fluoropyridine is sourced from PubChem (CID 118162409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).