5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine

C14H14BrNO2 — CID 52987753

IUPAC5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
SMILESCOc1c(Br)cnc(C)c1OCc1ccccc1
InChIInChI=1S/C14H14BrNO2/c1-10-13(14(17-2)12(15)8-16-10)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyWFTDBMGRZKJKPY-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.74
Rot. Bonds4

About 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine

5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine (PubChem CID 52987753) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
PubChem CID52987753
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
SMILESCOc1c(Br)cnc(C)c1OCc1ccccc1
InChIInChI=1S/C14H14BrNO2/c1-10-13(14(17-2)12(15)8-16-10)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyWFTDBMGRZKJKPY-UHFFFAOYSA-N
XLogP3.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2,4-dimethoxy-3-(4-phenylmethoxyphenyl)pyridine
CID 11486400
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
CID 15619962
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
(4-methoxy-3-methyl-5-phenylmethoxy-2-pyridinyl)methanol
CID 54539942
(4Z)-4-[(3,5-dibromo-4-methoxy-2-phenylmethoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CID 11670209
2-bromo-3-ethyl-4-methoxy-5-methyl-6-phenylmethoxyaniline
CID 23250120
6-chloro-3-methoxy-2-methyl-4-phenylmethoxypyridine
CID 169250017

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine?
The IUPAC name of 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine (CID 52987753) is 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine.
What is the SMILES notation for 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine?
The canonical SMILES for 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine is COc1c(Br)cnc(C)c1OCc1ccccc1.
What is the InChIKey of 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine?
The InChIKey is WFTDBMGRZKJKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-13(14(17-2)12(15)8-16-10)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine?
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine has a molecular weight of 308.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine is sourced from PubChem (CID 52987753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).