3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile

C12H6BrFN2 — CID 57443463

IUPAC3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2ccc(Br)cn2)c1
InChIInChI=1S/C12H6BrFN2/c13-10-1-2-12(16-7-10)9-3-8(6-15)4-11(14)5-9/h1-5,7H
InChIKeyUBMIPZGMUJHSPU-UHFFFAOYSA-N
MW277.10 g/mol
LogP3.52
Rot. Bonds1

About 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile

3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile (PubChem CID 57443463) has the molecular formula C12H6BrFN2 and a molecular weight of 277.10 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile
PubChem CID57443463
Molecular FormulaC12H6BrFN2
Molecular Weight277.10 g/mol
Exact Mass275.97
IUPAC Name3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-c2ccc(Br)cn2)c1
InChIInChI=1S/C12H6BrFN2/c13-10-1-2-12(16-7-10)9-3-8(6-15)4-11(14)5-9/h1-5,7H
InChIKeyUBMIPZGMUJHSPU-UHFFFAOYSA-N
XLogP3.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile (CID 57443463) is 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile is N#Cc1cc(F)cc(-c2ccc(Br)cn2)c1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile?
The InChIKey is UBMIPZGMUJHSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2/c13-10-1-2-12(16-7-10)9-3-8(6-15)4-11(14)5-9/h1-5,7H.
What are the key properties of 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile?
3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile has a molecular weight of 277.10 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-5-fluorobenzonitrile is sourced from PubChem (CID 57443463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).