4-[4-(chloromethyl)-3-fluorophenyl]pyridine

C12H9ClFN — CID 46315648

IUPAC4-[4-(chloromethyl)-3-fluorophenyl]pyridine
SMILESFc1cc(-c2ccncc2)ccc1CCl
InChIInChI=1S/C12H9ClFN/c13-8-11-2-1-10(7-12(11)14)9-3-5-15-6-4-9/h1-7H,8H2
InChIKeyZMDCYLDENGHJEO-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.63
Rot. Bonds2

About 4-[4-(chloromethyl)-3-fluorophenyl]pyridine

4-[4-(chloromethyl)-3-fluorophenyl]pyridine (PubChem CID 46315648) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-3-fluorophenyl]pyridine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-3-fluorophenyl]pyridine
PubChem CID46315648
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name4-[4-(chloromethyl)-3-fluorophenyl]pyridine
SMILESFc1cc(-c2ccncc2)ccc1CCl
InChIInChI=1S/C12H9ClFN/c13-8-11-2-1-10(7-12(11)14)9-3-5-15-6-4-9/h1-7H,8H2
InChIKeyZMDCYLDENGHJEO-UHFFFAOYSA-N
XLogP3.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-3-fluorophenyl]pyridine?
The IUPAC name of 4-[4-(chloromethyl)-3-fluorophenyl]pyridine (CID 46315648) is 4-[4-(chloromethyl)-3-fluorophenyl]pyridine.
What is the SMILES notation for 4-[4-(chloromethyl)-3-fluorophenyl]pyridine?
The canonical SMILES for 4-[4-(chloromethyl)-3-fluorophenyl]pyridine is Fc1cc(-c2ccncc2)ccc1CCl.
What is the InChIKey of 4-[4-(chloromethyl)-3-fluorophenyl]pyridine?
The InChIKey is ZMDCYLDENGHJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c13-8-11-2-1-10(7-12(11)14)9-3-5-15-6-4-9/h1-7H,8H2.
What are the key properties of 4-[4-(chloromethyl)-3-fluorophenyl]pyridine?
4-[4-(chloromethyl)-3-fluorophenyl]pyridine has a molecular weight of 221.66 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-3-fluorophenyl]pyridine is sourced from PubChem (CID 46315648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).