2-chloro-5-(3,4,5-trifluorophenyl)pyridine

C11H5ClF3N — CID 57229619

IUPAC2-chloro-5-(3,4,5-trifluorophenyl)pyridine
SMILESFc1cc(-c2ccc(Cl)nc2)cc(F)c1F
InChIInChI=1S/C11H5ClF3N/c12-10-2-1-6(5-16-10)7-3-8(13)11(15)9(14)4-7/h1-5H
InChIKeySVIMIXSTMNWOFJ-UHFFFAOYSA-N
MW243.62 g/mol
LogP3.82
Rot. Bonds1

About 2-chloro-5-(3,4,5-trifluorophenyl)pyridine

2-chloro-5-(3,4,5-trifluorophenyl)pyridine (PubChem CID 57229619) has the molecular formula C11H5ClF3N and a molecular weight of 243.62 g/mol. Its IUPAC name is 2-chloro-5-(3,4,5-trifluorophenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(3,4,5-trifluorophenyl)pyridine
PubChem CID57229619
Molecular FormulaC11H5ClF3N
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name2-chloro-5-(3,4,5-trifluorophenyl)pyridine
SMILESFc1cc(-c2ccc(Cl)nc2)cc(F)c1F
InChIInChI=1S/C11H5ClF3N/c12-10-2-1-6(5-16-10)7-3-8(13)11(15)9(14)4-7/h1-5H
InChIKeySVIMIXSTMNWOFJ-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4,5-trifluorophenyl)pyridine?
The IUPAC name of 2-chloro-5-(3,4,5-trifluorophenyl)pyridine (CID 57229619) is 2-chloro-5-(3,4,5-trifluorophenyl)pyridine.
What is the SMILES notation for 2-chloro-5-(3,4,5-trifluorophenyl)pyridine?
The canonical SMILES for 2-chloro-5-(3,4,5-trifluorophenyl)pyridine is Fc1cc(-c2ccc(Cl)nc2)cc(F)c1F.
What is the InChIKey of 2-chloro-5-(3,4,5-trifluorophenyl)pyridine?
The InChIKey is SVIMIXSTMNWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N/c12-10-2-1-6(5-16-10)7-3-8(13)11(15)9(14)4-7/h1-5H.
What are the key properties of 2-chloro-5-(3,4,5-trifluorophenyl)pyridine?
2-chloro-5-(3,4,5-trifluorophenyl)pyridine has a molecular weight of 243.62 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4,5-trifluorophenyl)pyridine is sourced from PubChem (CID 57229619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).