5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine

C11H11BrFN — CID 130506757

IUPAC5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1c(Br)cccc1C1=CCCNC1
InChIInChI=1S/C11H11BrFN/c12-10-5-1-4-9(11(10)13)8-3-2-6-14-7-8/h1,3-5,14H,2,6-7H2
InChIKeyDRJKFWFZZQDECD-UHFFFAOYSA-N
MW256.12 g/mol
LogP2.96
Rot. Bonds1

About 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine

5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 130506757) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID130506757
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1c(Br)cccc1C1=CCCNC1
InChIInChI=1S/C11H11BrFN/c12-10-5-1-4-9(11(10)13)8-3-2-6-14-7-8/h1,3-5,14H,2,6-7H2
InChIKeyDRJKFWFZZQDECD-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 130506741
oxalic acid;bis(4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole)
CID 3068362
5-[2-fluoro-6-hydroxy-3-(1,2,3,6-tetrahydropyridin-5-yl)phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168901110
2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline
CID 167902971
5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 119031101
2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 107951352
3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 68787865
3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-benzothiazole
CID 168995047
6-(3-bromo-2-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 106646341
3-(3-bromo-2-fluorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 107954589
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
3-(3-bromo-2-fluorophenyl)aniline
CID 106646301

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine (CID 130506757) is 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine is Fc1c(Br)cccc1C1=CCCNC1.
What is the InChIKey of 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is DRJKFWFZZQDECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c12-10-5-1-4-9(11(10)13)8-3-2-6-14-7-8/h1,3-5,14H,2,6-7H2.
What are the key properties of 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine?
5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 256.12 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-fluorophenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 130506757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).