3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine

C₁₂H₆Cl₃F₂NO — CID 133088180

About 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine

3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine (PubChem CID 133088180) has the molecular formula C₁₂H₆Cl₃F₂NO and a molecular weight of 324.54 g/mol. Its IUPAC name is 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine.

Molecular Properties

• Compound Name: 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine
• PubChem CID: 133088180
• Molecular Formula: C₁₂H₆Cl₃F₂NO
• Molecular Weight: 324.54 g/mol
• Exact Mass: 322.95
• IUPAC Name: 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine
• SMILES: FC(F)Oc1c(Cl)cncc1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C12H6Cl3F2NO/c13-8-3-1-2-6(10(8)15)7-4-18-5-9(14)11(7)19-12(16)17/h1-5,12H
• InChIKey: PRRHEPDIBVTTFT-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	324.54
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine?

The IUPAC name of 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine (CID 133088180) is 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine.

What is the SMILES notation for 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine?

The canonical SMILES for 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine is FC(F)Oc1c(Cl)cncc1-c1cccc(Cl)c1Cl.

What is the InChIKey of 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine?

The InChIKey is PRRHEPDIBVTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3F2NO/c13-8-3-1-2-6(10(8)15)7-4-18-5-9(14)11(7)19-12(16)17/h1-5,12H.

What are the key properties of 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine?

3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine has a molecular weight of 324.54 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine is sourced from PubChem (CID 133088180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 133088180 — identifiers, structure, computed properties (public domain)

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