5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine

C8H6Cl2FN — CID 169477081

IUPAC5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine
SMILESFc1ncc(Cl)cc1C=CCCl
InChIInChI=1S/C8H6Cl2FN/c9-3-1-2-6-4-7(10)5-12-8(6)11/h1-2,4-5H,3H2
InChIKeyJHLXFDJZHOUMIC-UHFFFAOYSA-N
MW206.05 g/mol
LogP3.13
Rot. Bonds2

About 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine

5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine (PubChem CID 169477081) has the molecular formula C8H6Cl2FN and a molecular weight of 206.05 g/mol. Its IUPAC name is 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine
PubChem CID169477081
Molecular FormulaC8H6Cl2FN
Molecular Weight206.05 g/mol
Exact Mass204.99
IUPAC Name5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine
SMILESFc1ncc(Cl)cc1C=CCCl
InChIInChI=1S/C8H6Cl2FN/c9-3-1-2-6-4-7(10)5-12-8(6)11/h1-2,4-5H,3H2
InChIKeyJHLXFDJZHOUMIC-UHFFFAOYSA-N
XLogP3.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine?
The IUPAC name of 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine (CID 169477081) is 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine.
What is the SMILES notation for 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine?
The canonical SMILES for 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine is Fc1ncc(Cl)cc1C=CCCl.
What is the InChIKey of 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine?
The InChIKey is JHLXFDJZHOUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FN/c9-3-1-2-6-4-7(10)5-12-8(6)11/h1-2,4-5H,3H2.
What are the key properties of 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine?
5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine has a molecular weight of 206.05 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine is sourced from PubChem (CID 169477081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).