2-chloro-6-(3-fluoropropyl)pyridine

C8H9ClFN — CID 173285144

IUPAC2-chloro-6-(3-fluoropropyl)pyridine
SMILESFCCCc1cccc(Cl)n1
InChIInChI=1S/C8H9ClFN/c9-8-5-1-3-7(11-8)4-2-6-10/h1,3,5H,2,4,6H2
InChIKeyPKAQMCHTVPKZDR-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.64
Rot. Bonds3

About 2-chloro-6-(3-fluoropropyl)pyridine

2-chloro-6-(3-fluoropropyl)pyridine (PubChem CID 173285144) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 2-chloro-6-(3-fluoropropyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(3-fluoropropyl)pyridine
PubChem CID173285144
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name2-chloro-6-(3-fluoropropyl)pyridine
SMILESFCCCc1cccc(Cl)n1
InChIInChI=1S/C8H9ClFN/c9-8-5-1-3-7(11-8)4-2-6-10/h1,3,5H,2,4,6H2
InChIKeyPKAQMCHTVPKZDR-UHFFFAOYSA-N
XLogP2.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-fluoropropyl)pyridine?
The IUPAC name of 2-chloro-6-(3-fluoropropyl)pyridine (CID 173285144) is 2-chloro-6-(3-fluoropropyl)pyridine.
What is the SMILES notation for 2-chloro-6-(3-fluoropropyl)pyridine?
The canonical SMILES for 2-chloro-6-(3-fluoropropyl)pyridine is FCCCc1cccc(Cl)n1.
What is the InChIKey of 2-chloro-6-(3-fluoropropyl)pyridine?
The InChIKey is PKAQMCHTVPKZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c9-8-5-1-3-7(11-8)4-2-6-10/h1,3,5H,2,4,6H2.
What are the key properties of 2-chloro-6-(3-fluoropropyl)pyridine?
2-chloro-6-(3-fluoropropyl)pyridine has a molecular weight of 173.62 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-fluoropropyl)pyridine is sourced from PubChem (CID 173285144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).