2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine

C18H16BrN — CID 66453767

IUPAC2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H16BrN/c1-13-5-4-10-20-18(13)12-17(19)16-9-8-14-6-2-3-7-15(14)11-16/h2-11,17H,12H2,1H3
InChIKeySYUZWWSJRWQZKE-UHFFFAOYSA-N
MW326.24 g/mol
LogP5.22
Rot. Bonds3

About 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine

2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine (PubChem CID 66453767) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
PubChem CID66453767
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
SMILESCc1cccnc1CC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C18H16BrN/c1-13-5-4-10-20-18(13)12-17(19)16-9-8-14-6-2-3-7-15(14)11-16/h2-11,17H,12H2,1H3
InChIKeySYUZWWSJRWQZKE-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-3-methylpyridine
CID 66453543
2-[2-bromo-2-(3-chloro-4-iodophenyl)ethyl]-3-methylpyridine
CID 103222629
2-[2-bromo-2-(4-fluoro-3-methoxyphenyl)ethyl]-3-methylpyridine
CID 81284243
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 115354635
2-[2-bromo-2-(2,4-difluorophenyl)ethyl]-3-methylpyridine
CID 66454197
2-[2-bromo-2-(2,3,4-trifluorophenyl)ethyl]-3-methylpyridine
CID 79755596
2-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]-3-methylpyridine
CID 66453117
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-3-methylpyridine
CID 66453124
2-[2-bromo-2-(4,5-dibromothiophen-2-yl)ethyl]-3-methylpyridine
CID 80538075
2-[2-bromo-2-(2,6-difluoro-3-methylphenyl)ethyl]-3-methylpyridine
CID 82819201
2-[2-bromo-2-(2-bromo-5-iodophenyl)ethyl]-3-methylpyridine
CID 114026722
2-(2-bromo-5-methylhexyl)-3-methylpyridine
CID 66455289

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine?
The IUPAC name of 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine (CID 66453767) is 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine?
The canonical SMILES for 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine is Cc1cccnc1CC(Br)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine?
The InChIKey is SYUZWWSJRWQZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-13-5-4-10-20-18(13)12-17(19)16-9-8-14-6-2-3-7-15(14)11-16/h2-11,17H,12H2,1H3.
What are the key properties of 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine?
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine has a molecular weight of 326.24 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine is sourced from PubChem (CID 66453767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).