5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine

C12H8F3N — CID 143473669

IUPAC5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
SMILESFc1ccc(Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H8F3N/c13-10-3-1-8(6-11(10)14)5-9-2-4-12(15)16-7-9/h1-4,6-7H,5H2
InChIKeyQIZFVZLZVOKULP-UHFFFAOYSA-N
MW223.20 g/mol
LogP3.09
Rot. Bonds2

About 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine

5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine (PubChem CID 143473669) has the molecular formula C12H8F3N and a molecular weight of 223.20 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
PubChem CID143473669
Molecular FormulaC12H8F3N
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine
SMILESFc1ccc(Cc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H8F3N/c13-10-3-1-8(6-11(10)14)5-9-2-4-12(15)16-7-9/h1-4,6-7H,5H2
InChIKeyQIZFVZLZVOKULP-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 53.09
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 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine (CID 143473669) is 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine is Fc1ccc(Cc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine?
The InChIKey is QIZFVZLZVOKULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N/c13-10-3-1-8(6-11(10)14)5-9-2-4-12(15)16-7-9/h1-4,6-7H,5H2.
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine?
5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine has a molecular weight of 223.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-2-fluoropyridine is sourced from PubChem (CID 143473669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).