4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine

C14H14BrNO — CID 66453972

IUPAC4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccccc1C(Br)Cc1ccncc1
InChIInChI=1S/C14H14BrNO/c1-17-14-5-3-2-4-12(14)13(15)10-11-6-8-16-9-7-11/h2-9,13H,10H2,1H3
InChIKeyRKGUVCUZZGPWBG-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.77
Rot. Bonds4

About 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine

4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine (PubChem CID 66453972) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
PubChem CID66453972
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccccc1C(Br)Cc1ccncc1
InChIInChI=1S/C14H14BrNO/c1-17-14-5-3-2-4-12(14)13(15)10-11-6-8-16-9-7-11/h2-9,13H,10H2,1H3
InChIKeyRKGUVCUZZGPWBG-UHFFFAOYSA-N
XLogP3.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-bromo-2-(2-methoxyphenyl)ethyl]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

1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
4-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66454195
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081
4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63543083
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
4-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]pyridine
CID 81140592
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine
CID 106690746

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine (CID 66453972) is 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine is COc1ccccc1C(Br)Cc1ccncc1.
What is the InChIKey of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine?
The InChIKey is RKGUVCUZZGPWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-17-14-5-3-2-4-12(14)13(15)10-11-6-8-16-9-7-11/h2-9,13H,10H2,1H3.
What are the key properties of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine?
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine has a molecular weight of 292.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 66453972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).