2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine

C15H16BrNO2 — CID 66453744

IUPAC2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
SMILESCOc1cc(OC)cc(C(Br)Cc2ccccn2)c1
InChIInChI=1S/C15H16BrNO2/c1-18-13-7-11(8-14(10-13)19-2)15(16)9-12-5-3-4-6-17-12/h3-8,10,15H,9H2,1-2H3
InChIKeyXTEGTCZWVOFSGM-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.78
Rot. Bonds5

About 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine

2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine (PubChem CID 66453744) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
PubChem CID66453744
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
SMILESCOc1cc(OC)cc(C(Br)Cc2ccccn2)c1
InChIInChI=1S/C15H16BrNO2/c1-18-13-7-11(8-14(10-13)19-2)15(16)9-12-5-3-4-6-17-12/h3-8,10,15H,9H2,1-2H3
InChIKeyXTEGTCZWVOFSGM-UHFFFAOYSA-N
XLogP3.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-(3-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
CID 82084082
2-[2-bromo-2-(3,4-difluorophenyl)ethyl]pyridine
CID 66454388
[1-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]hydrazine
CID 105200033
2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
CID 82084085
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
1-(3,5-dimethoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460720
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 43121506
4-methoxy-N-(1-pyridin-2-ylpropan-2-yl)aniline
CID 122394146

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine (CID 66453744) is 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine is COc1cc(OC)cc(C(Br)Cc2ccccn2)c1.
What is the InChIKey of 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine?
The InChIKey is XTEGTCZWVOFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-13-7-11(8-14(10-13)19-2)15(16)9-12-5-3-4-6-17-12/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine?
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine has a molecular weight of 322.20 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 66453744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).