4-fluoro-3-(2,3,6-trichlorophenyl)pyridine

C11H5Cl3FN — CID 134637571

IUPAC4-fluoro-3-(2,3,6-trichlorophenyl)pyridine
SMILESFc1ccncc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl3FN/c12-7-1-2-8(13)11(14)10(7)6-5-16-4-3-9(6)15/h1-5H
InChIKeyWMPJRFWLAFMRHS-UHFFFAOYSA-N
MW276.52 g/mol
LogP4.85
Rot. Bonds1

About 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine

4-fluoro-3-(2,3,6-trichlorophenyl)pyridine (PubChem CID 134637571) has the molecular formula C11H5Cl3FN and a molecular weight of 276.52 g/mol. Its IUPAC name is 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine.

Molecular Properties

Compound Name4-fluoro-3-(2,3,6-trichlorophenyl)pyridine
PubChem CID134637571
Molecular FormulaC11H5Cl3FN
Molecular Weight276.52 g/mol
Exact Mass274.95
IUPAC Name4-fluoro-3-(2,3,6-trichlorophenyl)pyridine
SMILESFc1ccncc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl3FN/c12-7-1-2-8(13)11(14)10(7)6-5-16-4-3-9(6)15/h1-5H
InChIKeyWMPJRFWLAFMRHS-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenyl)-4-fluoropyridine
CID 133090486
4-(2,6-dichlorophenyl)-3-fluoropyridine
CID 133090517
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356
3-chloro-5-fluoro-4-(2,3,4-trichlorophenyl)pyridine
CID 133090143
4-iodo-3-(2,3,4-trichlorophenyl)pyridine
CID 134636344
8-chloro-5-fluoroisoquinoline
CID 124707448
4-chloro-3-(2,3-dichlorophenyl)pyridine
CID 118828416
4-chloro-3-(2,4,6-trichlorophenyl)pyridine
CID 134636075
4-(3,6-dichloro-2-fluorophenyl)pyridine
CID 102233981
4-(4-chloro-3-pyridinyl)-3-fluoroaniline
CID 163275681
5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637033

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine?
The IUPAC name of 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine (CID 134637571) is 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine.
What is the SMILES notation for 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine?
The canonical SMILES for 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine is Fc1ccncc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine?
The InChIKey is WMPJRFWLAFMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FN/c12-7-1-2-8(13)11(14)10(7)6-5-16-4-3-9(6)15/h1-5H.
What are the key properties of 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine?
4-fluoro-3-(2,3,6-trichlorophenyl)pyridine has a molecular weight of 276.52 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2,3,6-trichlorophenyl)pyridine is sourced from PubChem (CID 134637571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).