4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine

C14H13Br2NO — CID 66455485

IUPAC4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(C(Br)Cc2ccncc2)cc1Br
InChIInChI=1S/C14H13Br2NO/c1-18-14-3-2-11(9-13(14)16)12(15)8-10-4-6-17-7-5-10/h2-7,9,12H,8H2,1H3
InChIKeySKXGTOMSWPBBLS-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.53
Rot. Bonds4

About 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine

4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine (PubChem CID 66455485) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
PubChem CID66455485
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(C(Br)Cc2ccncc2)cc1Br
InChIInChI=1S/C14H13Br2NO/c1-18-14-3-2-11(9-13(14)16)12(15)8-10-4-6-17-7-5-10/h2-7,9,12H,8H2,1H3
InChIKeySKXGTOMSWPBBLS-UHFFFAOYSA-N
XLogP4.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
CID 61095982
4-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66454195
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
CID 66459760
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
CID 105034619
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine (CID 66455485) is 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine is COc1ccc(C(Br)Cc2ccncc2)cc1Br.
What is the InChIKey of 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine?
The InChIKey is SKXGTOMSWPBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO/c1-18-14-3-2-11(9-13(14)16)12(15)8-10-4-6-17-7-5-10/h2-7,9,12H,8H2,1H3.
What are the key properties of 4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine?
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine has a molecular weight of 371.07 g/mol, XLogP of 4.53, 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-(3-bromo-4-methoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 66455485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).