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

C12H14BrN — CID 10634535

IUPAC4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3
InChIKeyZLTVWHVXRJSJMU-UHFFFAOYSA-N
MW252.16 g/mol
LogP3.17
Rot. Bonds1

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

4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10634535) has the molecular formula C12H14BrN and a molecular weight of 252.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10634535
Molecular FormulaC12H14BrN
Molecular Weight252.16 g/mol
Exact Mass251.03
IUPAC Name4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3
InChIKeyZLTVWHVXRJSJMU-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 10634535) is 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZLTVWHVXRJSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine?
4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 252.16 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10634535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).