3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine

C12H8ClF2N — CID 165454838

IUPAC3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2cncc(CCl)c2)c(F)c1
InChIInChI=1S/C12H8ClF2N/c13-5-8-3-9(7-16-6-8)11-2-1-10(14)4-12(11)15/h1-4,6-7H,5H2
InChIKeyGJGMUOWTYQIVIK-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.77
Rot. Bonds2

About 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine

3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine (PubChem CID 165454838) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine
PubChem CID165454838
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine
SMILESFc1ccc(-c2cncc(CCl)c2)c(F)c1
InChIInChI=1S/C12H8ClF2N/c13-5-8-3-9(7-16-6-8)11-2-1-10(14)4-12(11)15/h1-4,6-7H,5H2
InChIKeyGJGMUOWTYQIVIK-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 53.77
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 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine?
The IUPAC name of 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine (CID 165454838) is 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine?
The canonical SMILES for 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine is Fc1ccc(-c2cncc(CCl)c2)c(F)c1.
What is the InChIKey of 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine?
The InChIKey is GJGMUOWTYQIVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-5-8-3-9(7-16-6-8)11-2-1-10(14)4-12(11)15/h1-4,6-7H,5H2.
What are the key properties of 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine?
3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine has a molecular weight of 239.65 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(2,4-difluorophenyl)pyridine is sourced from PubChem (CID 165454838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).