6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine

C15H16BrN — CID 149001165

IUPAC6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine
SMILESC=C1C(C)=CC=C(c2ccc(Br)cc2)N1CC
InChIInChI=1S/C15H16BrN/c1-4-17-12(3)11(2)5-10-15(17)13-6-8-14(16)9-7-13/h5-10H,3-4H2,1-2H3
InChIKeyLEAQLAZGQMRDNN-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.59
Rot. Bonds2

About 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine

6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine (PubChem CID 149001165) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine
PubChem CID149001165
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine
SMILESC=C1C(C)=CC=C(c2ccc(Br)cc2)N1CC
InChIInChI=1S/C15H16BrN/c1-4-17-12(3)11(2)5-10-15(17)13-6-8-14(16)9-7-13/h5-10H,3-4H2,1-2H3
InChIKeyLEAQLAZGQMRDNN-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine?
The IUPAC name of 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine (CID 149001165) is 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine.
What is the SMILES notation for 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine?
The canonical SMILES for 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine is C=C1C(C)=CC=C(c2ccc(Br)cc2)N1CC.
What is the InChIKey of 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine?
The InChIKey is LEAQLAZGQMRDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-4-17-12(3)11(2)5-10-15(17)13-6-8-14(16)9-7-13/h5-10H,3-4H2,1-2H3.
What are the key properties of 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine?
6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine has a molecular weight of 290.20 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine is sourced from PubChem (CID 149001165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).