2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

C11H5ClF4N2 — CID 118019838

IUPAC2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESFc1cc(-c2ccc(C(F)(F)F)nc2)cc(Cl)n1
InChIInChI=1S/C11H5ClF4N2/c12-9-3-7(4-10(13)18-9)6-1-2-8(17-5-6)11(14,15)16/h1-5H
InChIKeyKSURMOYJNRYGEL-UHFFFAOYSA-N
MW276.62 g/mol
LogP3.95
Rot. Bonds1

About 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine

2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (PubChem CID 118019838) has the molecular formula C11H5ClF4N2 and a molecular weight of 276.62 g/mol. Its IUPAC name is 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
PubChem CID118019838
Molecular FormulaC11H5ClF4N2
Molecular Weight276.62 g/mol
Exact Mass276.01
IUPAC Name2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
SMILESFc1cc(-c2ccc(C(F)(F)F)nc2)cc(Cl)n1
InChIInChI=1S/C11H5ClF4N2/c12-9-3-7(4-10(13)18-9)6-1-2-8(17-5-6)11(14,15)16/h1-5H
InChIKeyKSURMOYJNRYGEL-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.62
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The IUPAC name of 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine (CID 118019838) is 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The canonical SMILES for 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is Fc1cc(-c2ccc(C(F)(F)F)nc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
The InChIKey is KSURMOYJNRYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF4N2/c12-9-3-7(4-10(13)18-9)6-1-2-8(17-5-6)11(14,15)16/h1-5H.
What are the key properties of 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine?
2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine has a molecular weight of 276.62 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 118019838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).