3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine

C17H13BrFN — CID 167136780

IUPAC3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine
SMILESFc1ccc(C2=NCC(c3ccc(Br)cc3)C=C2)cc1
InChIInChI=1S/C17H13BrFN/c18-15-6-1-12(2-7-15)14-5-10-17(20-11-14)13-3-8-16(19)9-4-13/h1-10,14H,11H2
InChIKeyYSXJYXNQMHHWLA-UHFFFAOYSA-N
MW330.20 g/mol
LogP4.73
Rot. Bonds2

About 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine

3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine (PubChem CID 167136780) has the molecular formula C17H13BrFN and a molecular weight of 330.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine
PubChem CID167136780
Molecular FormulaC17H13BrFN
Molecular Weight330.20 g/mol
Exact Mass329.02
IUPAC Name3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine
SMILESFc1ccc(C2=NCC(c3ccc(Br)cc3)C=C2)cc1
InChIInChI=1S/C17H13BrFN/c18-15-6-1-12(2-7-15)14-5-10-17(20-11-14)13-3-8-16(19)9-4-13/h1-10,14H,11H2
InChIKeyYSXJYXNQMHHWLA-UHFFFAOYSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine?
The IUPAC name of 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine (CID 167136780) is 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine?
The canonical SMILES for 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine is Fc1ccc(C2=NCC(c3ccc(Br)cc3)C=C2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine?
The InChIKey is YSXJYXNQMHHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN/c18-15-6-1-12(2-7-15)14-5-10-17(20-11-14)13-3-8-16(19)9-4-13/h1-10,14H,11H2.
What are the key properties of 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine?
3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine has a molecular weight of 330.20 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-(4-fluorophenyl)-2,3-dihydropyridine is sourced from PubChem (CID 167136780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).