2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine

C9H9ClFNO — CID 165391546

IUPAC2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine
SMILESC=C(OCC)c1ccc(F)c(Cl)n1
InChIInChI=1S/C9H9ClFNO/c1-3-13-6(2)8-5-4-7(11)9(10)12-8/h4-5H,2-3H2,1H3
InChIKeyANFAIQMSPOQJRZ-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.88
Rot. Bonds3

About 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine

2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine (PubChem CID 165391546) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine
PubChem CID165391546
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine
SMILESC=C(OCC)c1ccc(F)c(Cl)n1
InChIInChI=1S/C9H9ClFNO/c1-3-13-6(2)8-5-4-7(11)9(10)12-8/h4-5H,2-3H2,1H3
InChIKeyANFAIQMSPOQJRZ-UHFFFAOYSA-N
XLogP2.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine?
The IUPAC name of 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine (CID 165391546) is 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine.
What is the SMILES notation for 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine?
The canonical SMILES for 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine is C=C(OCC)c1ccc(F)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine?
The InChIKey is ANFAIQMSPOQJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-3-13-6(2)8-5-4-7(11)9(10)12-8/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine?
2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine has a molecular weight of 201.63 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-ethoxyethenyl)-3-fluoropyridine is sourced from PubChem (CID 165391546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).