3,5-dichloro-2,6-difluoro-4-methylpyridine

C6H3Cl2F2N — CID 54345490

IUPAC3,5-dichloro-2,6-difluoro-4-methylpyridine
SMILESCc1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C6H3Cl2F2N/c1-2-3(7)5(9)11-6(10)4(2)8/h1H3
InChIKeyAEQZLGOQOKWZJK-UHFFFAOYSA-N
MW198.00 g/mol
LogP2.98
Rot. Bonds

About 3,5-dichloro-2,6-difluoro-4-methylpyridine

3,5-dichloro-2,6-difluoro-4-methylpyridine (PubChem CID 54345490) has the molecular formula C6H3Cl2F2N and a molecular weight of 198.00 g/mol. Its IUPAC name is 3,5-dichloro-2,6-difluoro-4-methylpyridine.

Molecular Properties

Compound Name3,5-dichloro-2,6-difluoro-4-methylpyridine
PubChem CID54345490
Molecular FormulaC6H3Cl2F2N
Molecular Weight198.00 g/mol
Exact Mass196.96
IUPAC Name3,5-dichloro-2,6-difluoro-4-methylpyridine
SMILESCc1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C6H3Cl2F2N/c1-2-3(7)5(9)11-6(10)4(2)8/h1H3
InChIKeyAEQZLGOQOKWZJK-UHFFFAOYSA-N
XLogP2.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 52.98
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 3,5-dichloro-2,6-difluoro-4-methylpyridine?
The IUPAC name of 3,5-dichloro-2,6-difluoro-4-methylpyridine (CID 54345490) is 3,5-dichloro-2,6-difluoro-4-methylpyridine.
What is the SMILES notation for 3,5-dichloro-2,6-difluoro-4-methylpyridine?
The canonical SMILES for 3,5-dichloro-2,6-difluoro-4-methylpyridine is Cc1c(Cl)c(F)nc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2,6-difluoro-4-methylpyridine?
The InChIKey is AEQZLGOQOKWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2F2N/c1-2-3(7)5(9)11-6(10)4(2)8/h1H3.
What are the key properties of 3,5-dichloro-2,6-difluoro-4-methylpyridine?
3,5-dichloro-2,6-difluoro-4-methylpyridine has a molecular weight of 198.00 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-difluoro-4-methylpyridine is sourced from PubChem (CID 54345490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).