4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine

C18H16BrN — CID 66455036

IUPAC4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine
SMILESCC(c1ccncc1)C(Br)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN/c1-13(14-9-11-20-12-10-14)18(19)17-8-4-6-15-5-2-3-7-16(15)17/h2-13,18H,1H3
InChIKeyLJMLNMYISJOULM-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.47
Rot. Bonds3

About 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine

4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine (PubChem CID 66455036) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine.

Molecular Properties

Compound Name4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine
PubChem CID66455036
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine
SMILESCC(c1ccncc1)C(Br)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN/c1-13(14-9-11-20-12-10-14)18(19)17-8-4-6-15-5-2-3-7-16(15)17/h2-13,18H,1H3
InChIKeyLJMLNMYISJOULM-UHFFFAOYSA-N
XLogP5.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.24
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(1R)-1-naphthalen-1-ylethyl]-1-pyridin-4-ylethanamine
CID 28666055
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
N-[naphthalen-1-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62790694
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
4-(4-bromo-3-methylbutan-2-yl)pyridine
CID 83929850
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
1-isoquinolin-5-yl-2-phenylpropan-1-ol
CID 63899974
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
CID 66453308
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
CID 174906138
CID 174906138

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine?
The IUPAC name of 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine (CID 66455036) is 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine.
What is the SMILES notation for 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine?
The canonical SMILES for 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine is CC(c1ccncc1)C(Br)c1cccc2ccccc12.
What is the InChIKey of 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine?
The InChIKey is LJMLNMYISJOULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-13(14-9-11-20-12-10-14)18(19)17-8-4-6-15-5-2-3-7-16(15)17/h2-13,18H,1H3.
What are the key properties of 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine?
4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine has a molecular weight of 326.24 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine is sourced from PubChem (CID 66455036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).