4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine

C12H13BrFN — CID 155415165

IUPAC4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H13BrFN/c1-15-6-4-9(5-7-15)11-3-2-10(13)8-12(11)14/h2-4,8H,5-7H2,1H3
InChIKeyGDOFZFVMKWRPSW-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.31
Rot. Bonds1

About 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine

4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 155415165) has the molecular formula C12H13BrFN and a molecular weight of 270.14 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID155415165
Molecular FormulaC12H13BrFN
Molecular Weight270.14 g/mol
Exact Mass269.02
IUPAC Name4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccc(Br)cc2F)CC1
InChIInChI=1S/C12H13BrFN/c1-15-6-4-9(5-7-15)11-3-2-10(13)8-12(11)14/h2-4,8H,5-7H2,1H3
InChIKeyGDOFZFVMKWRPSW-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 155415165) is 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(c2ccc(Br)cc2F)CC1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is GDOFZFVMKWRPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN/c1-15-6-4-9(5-7-15)11-3-2-10(13)8-12(11)14/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 270.14 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 155415165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).