5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine

C16H8Br2F2N2 — CID 59621408

IUPAC5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine
SMILESFc1cc(F)c(-c2ccc(Br)cn2)cc1-c1ccc(Br)cn1
InChIInChI=1S/C16H8Br2F2N2/c17-9-1-3-15(21-7-9)11-5-12(14(20)6-13(11)19)16-4-2-10(18)8-22-16/h1-8H
InChIKeyXXDJPGMKIRSVDO-UHFFFAOYSA-N
MW426.06 g/mol
LogP5.61
Rot. Bonds2

About 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine

5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine (PubChem CID 59621408) has the molecular formula C16H8Br2F2N2 and a molecular weight of 426.06 g/mol. Its IUPAC name is 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine
PubChem CID59621408
Molecular FormulaC16H8Br2F2N2
Molecular Weight426.06 g/mol
Exact Mass423.90
IUPAC Name5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine
SMILESFc1cc(F)c(-c2ccc(Br)cn2)cc1-c1ccc(Br)cn1
InChIInChI=1S/C16H8Br2F2N2/c17-9-1-3-15(21-7-9)11-5-12(14(20)6-13(11)19)16-4-2-10(18)8-22-16/h1-8H
InChIKeyXXDJPGMKIRSVDO-UHFFFAOYSA-N
XLogP5.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.06
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine?
The IUPAC name of 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine (CID 59621408) is 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine.
What is the SMILES notation for 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine?
The canonical SMILES for 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine is Fc1cc(F)c(-c2ccc(Br)cn2)cc1-c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine?
The InChIKey is XXDJPGMKIRSVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2F2N2/c17-9-1-3-15(21-7-9)11-5-12(14(20)6-13(11)19)16-4-2-10(18)8-22-16/h1-8H.
What are the key properties of 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine?
5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine has a molecular weight of 426.06 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[5-(5-bromo-2-pyridinyl)-2,4-difluorophenyl]pyridine is sourced from PubChem (CID 59621408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).