2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine

C16H18BrNO2 — CID 158429646

IUPAC2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine
SMILESCOc1ccc(CCCc2cccc(Br)n2)c(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-19-14-10-9-12(15(11-14)20-2)5-3-6-13-7-4-8-16(17)18-13/h4,7-11H,3,5-6H2,1-2H3
InChIKeyHBMQWWLDTCUCHQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.04
Rot. Bonds6

About 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine

2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine (PubChem CID 158429646) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine
PubChem CID158429646
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine
SMILESCOc1ccc(CCCc2cccc(Br)n2)c(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-19-14-10-9-12(15(11-14)20-2)5-3-6-13-7-4-8-16(17)18-13/h4,7-11H,3,5-6H2,1-2H3
InChIKeyHBMQWWLDTCUCHQ-UHFFFAOYSA-N
XLogP4.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 103953076
1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
CID 139826698
7-(2,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)heptan-3-one
CID 150776440
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine?
The IUPAC name of 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine (CID 158429646) is 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine.
What is the SMILES notation for 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine?
The canonical SMILES for 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine is COc1ccc(CCCc2cccc(Br)n2)c(OC)c1.
What is the InChIKey of 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine?
The InChIKey is HBMQWWLDTCUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-14-10-9-12(15(11-14)20-2)5-3-6-13-7-4-8-16(17)18-13/h4,7-11H,3,5-6H2,1-2H3.
What are the key properties of 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine?
2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine has a molecular weight of 336.23 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(2,4-dimethoxyphenyl)propyl]pyridine is sourced from PubChem (CID 158429646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).