5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine

C11H5ClF3N — CID 165477598

IUPAC5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine
SMILESFc1cc(F)cc(-c2cc(Cl)cnc2F)c1
InChIInChI=1S/C11H5ClF3N/c12-7-3-10(11(15)16-5-7)6-1-8(13)4-9(14)2-6/h1-5H
InChIKeyGJPQPRWJHCFMST-UHFFFAOYSA-N
MW243.62 g/mol
LogP3.82
Rot. Bonds1

About 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine

5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine (PubChem CID 165477598) has the molecular formula C11H5ClF3N and a molecular weight of 243.62 g/mol. Its IUPAC name is 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine
PubChem CID165477598
Molecular FormulaC11H5ClF3N
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine
SMILESFc1cc(F)cc(-c2cc(Cl)cnc2F)c1
InChIInChI=1S/C11H5ClF3N/c12-7-3-10(11(15)16-5-7)6-1-8(13)4-9(14)2-6/h1-5H
InChIKeyGJPQPRWJHCFMST-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine?
The IUPAC name of 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine (CID 165477598) is 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine.
What is the SMILES notation for 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine?
The canonical SMILES for 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine is Fc1cc(F)cc(-c2cc(Cl)cnc2F)c1.
What is the InChIKey of 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine?
The InChIKey is GJPQPRWJHCFMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N/c12-7-3-10(11(15)16-5-7)6-1-8(13)4-9(14)2-6/h1-5H.
What are the key properties of 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine?
5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine 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 5-chloro-3-(3,5-difluorophenyl)-2-fluoropyridine is sourced from PubChem (CID 165477598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).