6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine

C11H11BrFN — CID 127026746

IUPAC6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1cc(Br)cc(C2=NCCCC2)c1
InChIInChI=1S/C11H11BrFN/c12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11/h5-7H,1-4H2
InChIKeyMFIANXNGKGYYND-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.56
Rot. Bonds1

About 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine

6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 127026746) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID127026746
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1cc(Br)cc(C2=NCCCC2)c1
InChIInChI=1S/C11H11BrFN/c12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11/h5-7H,1-4H2
InChIKeyMFIANXNGKGYYND-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine (CID 127026746) is 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine is Fc1cc(Br)cc(C2=NCCCC2)c1.
What is the InChIKey of 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is MFIANXNGKGYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11/h5-7H,1-4H2.
What are the key properties of 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine?
6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 256.12 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-fluorophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 127026746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).