3,6-dichloro-3-fluoro-4H-pyridine

C5H4Cl2FN — CID 90134257

IUPAC3,6-dichloro-3-fluoro-4H-pyridine
SMILESFC1(Cl)C=NC(Cl)=CC1
InChIInChI=1S/C5H4Cl2FN/c6-4-1-2-5(7,8)3-9-4/h1,3H,2H2
InChIKeyWRLTYHTVJPPJMQ-UHFFFAOYSA-N
MW168.00 g/mol
LogP2.45
Rot. Bonds

About 3,6-dichloro-3-fluoro-4H-pyridine

3,6-dichloro-3-fluoro-4H-pyridine (PubChem CID 90134257) has the molecular formula C5H4Cl2FN and a molecular weight of 168.00 g/mol. Its IUPAC name is 3,6-dichloro-3-fluoro-4H-pyridine.

Molecular Properties

Compound Name3,6-dichloro-3-fluoro-4H-pyridine
PubChem CID90134257
Molecular FormulaC5H4Cl2FN
Molecular Weight168.00 g/mol
Exact Mass166.97
IUPAC Name3,6-dichloro-3-fluoro-4H-pyridine
SMILESFC1(Cl)C=NC(Cl)=CC1
InChIInChI=1S/C5H4Cl2FN/c6-4-1-2-5(7,8)3-9-4/h1,3H,2H2
InChIKeyWRLTYHTVJPPJMQ-UHFFFAOYSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.00
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-3-fluoro-4H-pyridine?
The IUPAC name of 3,6-dichloro-3-fluoro-4H-pyridine (CID 90134257) is 3,6-dichloro-3-fluoro-4H-pyridine.
What is the SMILES notation for 3,6-dichloro-3-fluoro-4H-pyridine?
The canonical SMILES for 3,6-dichloro-3-fluoro-4H-pyridine is FC1(Cl)C=NC(Cl)=CC1.
What is the InChIKey of 3,6-dichloro-3-fluoro-4H-pyridine?
The InChIKey is WRLTYHTVJPPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2FN/c6-4-1-2-5(7,8)3-9-4/h1,3H,2H2.
What are the key properties of 3,6-dichloro-3-fluoro-4H-pyridine?
3,6-dichloro-3-fluoro-4H-pyridine has a molecular weight of 168.00 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-3-fluoro-4H-pyridine is sourced from PubChem (CID 90134257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).