3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine

C11H3Cl5FN — CID 133090011

IUPAC3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESFc1cccnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H3Cl5FN/c12-6-5(11-4(17)2-1-3-18-11)7(13)9(15)10(16)8(6)14/h1-3H
InChIKeyMCUPQHDIFGQUEX-UHFFFAOYSA-N
MW345.42 g/mol
LogP6.15
Rot. Bonds1

About 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine

3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine (PubChem CID 133090011) has the molecular formula C11H3Cl5FN and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine
PubChem CID133090011
Molecular FormulaC11H3Cl5FN
Molecular Weight345.42 g/mol
Exact Mass342.87
IUPAC Name3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESFc1cccnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H3Cl5FN/c12-6-5(11-4(17)2-1-3-18-11)7(13)9(15)10(16)8(6)14/h1-3H
InChIKeyMCUPQHDIFGQUEX-UHFFFAOYSA-N
XLogP6.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine?
The IUPAC name of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine (CID 133090011) is 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine.
What is the SMILES notation for 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine?
The canonical SMILES for 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine is Fc1cccnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine?
The InChIKey is MCUPQHDIFGQUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl5FN/c12-6-5(11-4(17)2-1-3-18-11)7(13)9(15)10(16)8(6)14/h1-3H.
What are the key properties of 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine?
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine has a molecular weight of 345.42 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine is sourced from PubChem (CID 133090011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).