5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine

C16H10BrFN2 — CID 90182455

IUPAC5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine
SMILESFc1cccc(-c2ccc(-c3ccc(Br)cn3)cn2)c1
InChIInChI=1S/C16H10BrFN2/c17-13-5-7-16(20-10-13)12-4-6-15(19-9-12)11-2-1-3-14(18)8-11/h1-10H
InChIKeyBNWDICKQQMEBJF-UHFFFAOYSA-N
MW329.17 g/mol
LogP4.71
Rot. Bonds2

About 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine

5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine (PubChem CID 90182455) has the molecular formula C16H10BrFN2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine
PubChem CID90182455
Molecular FormulaC16H10BrFN2
Molecular Weight329.17 g/mol
Exact Mass328.00
IUPAC Name5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine
SMILESFc1cccc(-c2ccc(-c3ccc(Br)cn3)cn2)c1
InChIInChI=1S/C16H10BrFN2/c17-13-5-7-16(20-10-13)12-4-6-15(19-9-12)11-2-1-3-14(18)8-11/h1-10H
InChIKeyBNWDICKQQMEBJF-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine?
The IUPAC name of 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine (CID 90182455) is 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine.
What is the SMILES notation for 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine?
The canonical SMILES for 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine is Fc1cccc(-c2ccc(-c3ccc(Br)cn3)cn2)c1.
What is the InChIKey of 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine?
The InChIKey is BNWDICKQQMEBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2/c17-13-5-7-16(20-10-13)12-4-6-15(19-9-12)11-2-1-3-14(18)8-11/h1-10H.
What are the key properties of 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine?
5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine has a molecular weight of 329.17 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(3-fluorophenyl)-3-pyridinyl]pyridine is sourced from PubChem (CID 90182455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).