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

C11H11BrFN — CID 58938108

IUPAC6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1cc(C2=NCCCC2)ccc1Br
InChIInChI=1S/C11H11BrFN/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11/h4-5,7H,1-3,6H2
InChIKeyNVEUYCPGPOWXRA-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.56
Rot. Bonds1

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

6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine (PubChem CID 58938108) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine
PubChem CID58938108
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine
SMILESFc1cc(C2=NCCCC2)ccc1Br
InChIInChI=1S/C11H11BrFN/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11/h4-5,7H,1-3,6H2
InChIKeyNVEUYCPGPOWXRA-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-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine (CID 58938108) is 6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine is Fc1cc(C2=NCCCC2)ccc1Br.
What is the InChIKey of 6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is NVEUYCPGPOWXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11/h4-5,7H,1-3,6H2.
What are the key properties of 6-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine?
6-(4-bromo-3-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-(4-bromo-3-fluorophenyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 58938108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).