3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine

C14H14BrNO2 — CID 113455706

IUPAC3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
SMILESCOc1cccc(COCc2cncc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c1-17-14-4-2-3-11(6-14)9-18-10-12-5-13(15)8-16-7-12/h2-8H,9-10H2,1H3
InChIKeyAIHJWLKVBBOHHE-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.57
Rot. Bonds5

About 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine

3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine (PubChem CID 113455706) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
PubChem CID113455706
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine
SMILESCOc1cccc(COCc2cncc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2/c1-17-14-4-2-3-11(6-14)9-18-10-12-5-13(15)8-16-7-12/h2-8H,9-10H2,1H3
InChIKeyAIHJWLKVBBOHHE-UHFFFAOYSA-N
XLogP3.57
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[[3-(chloromethyl)phenoxy]methyl]pyridine
CID 104798995
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2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
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3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
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2-chloro-5-[(3-methoxyphenyl)methoxymethyl]pyrazine
CID 103054759
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
6-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 79240022
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine?
The IUPAC name of 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine (CID 113455706) is 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine.
What is the SMILES notation for 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine?
The canonical SMILES for 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine is COc1cccc(COCc2cncc(Br)c2)c1.
What is the InChIKey of 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine?
The InChIKey is AIHJWLKVBBOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-17-14-4-2-3-11(6-14)9-18-10-12-5-13(15)8-16-7-12/h2-8H,9-10H2,1H3.
What are the key properties of 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine?
3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine has a molecular weight of 308.18 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3-methoxyphenyl)methoxymethyl]pyridine is sourced from PubChem (CID 113455706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).