2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine

C14H14BrNO3 — CID 103172955

IUPAC2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2ccccc2Br)c1OC
InChIInChI=1S/C14H14BrNO3/c1-17-13-7-8-16-11(14(13)18-2)9-19-12-6-4-3-5-10(12)15/h3-8H,9H2,1-2H3
InChIKeyOOUQGSMIRSINIX-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.44
Rot. Bonds5

About 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine

2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine (PubChem CID 103172955) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
PubChem CID103172955
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
SMILESCOc1ccnc(COc2ccccc2Br)c1OC
InChIInChI=1S/C14H14BrNO3/c1-17-13-7-8-16-11(14(13)18-2)9-19-12-6-4-3-5-10(12)15/h3-8H,9H2,1-2H3
InChIKeyOOUQGSMIRSINIX-UHFFFAOYSA-N
XLogP3.44
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 103173312
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
2-benzyl-3,4-dimethoxypyridine
CID 141149610
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
3-bromo-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylaniline
CID 107633545
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 103173022
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 107691675

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine?
The IUPAC name of 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine (CID 103172955) is 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine is COc1ccnc(COc2ccccc2Br)c1OC.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine?
The InChIKey is OOUQGSMIRSINIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-17-13-7-8-16-11(14(13)18-2)9-19-12-6-4-3-5-10(12)15/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine?
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine has a molecular weight of 324.17 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine is sourced from PubChem (CID 103172955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).