2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine

C15H5F6N3 — CID 90084661

IUPAC2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine
SMILESFc1cnc(-c2nc(-c3ncc(F)cc3F)c(F)cc2F)c(F)c1
InChIInChI=1S/C15H5F6N3/c16-6-1-8(18)12(22-4-6)14-10(20)3-11(21)15(24-14)13-9(19)2-7(17)5-23-13/h1-5H
InChIKeyBMJNVTLPJMKIGG-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.04
Rot. Bonds2

About 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine

2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine (PubChem CID 90084661) has the molecular formula C15H5F6N3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine.

Molecular Properties

Compound Name2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine
PubChem CID90084661
Molecular FormulaC15H5F6N3
Molecular Weight341.21 g/mol
Exact Mass341.04
IUPAC Name2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine
SMILESFc1cnc(-c2nc(-c3ncc(F)cc3F)c(F)cc2F)c(F)c1
InChIInChI=1S/C15H5F6N3/c16-6-1-8(18)12(22-4-6)14-10(20)3-11(21)15(24-14)13-9(19)2-7(17)5-23-13/h1-5H
InChIKeyBMJNVTLPJMKIGG-UHFFFAOYSA-N
XLogP4.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine?
The IUPAC name of 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine (CID 90084661) is 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine.
What is the SMILES notation for 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine?
The canonical SMILES for 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine is Fc1cnc(-c2nc(-c3ncc(F)cc3F)c(F)cc2F)c(F)c1.
What is the InChIKey of 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine?
The InChIKey is BMJNVTLPJMKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F6N3/c16-6-1-8(18)12(22-4-6)14-10(20)3-11(21)15(24-14)13-9(19)2-7(17)5-23-13/h1-5H.
What are the key properties of 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine?
2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine has a molecular weight of 341.21 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-difluoro-2-pyridinyl)-3,5-difluoropyridine is sourced from PubChem (CID 90084661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).