5-bromo-2-(2,3-dimethoxyphenyl)pyridine

C13H12BrNO2 — CID 68621665

IUPAC5-bromo-2-(2,3-dimethoxyphenyl)pyridine
SMILESCOc1cccc(-c2ccc(Br)cn2)c1OC
InChIInChI=1S/C13H12BrNO2/c1-16-12-5-3-4-10(13(12)17-2)11-7-6-9(14)8-15-11/h3-8H,1-2H3
InChIKeyVNSWRZDZQOYXID-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-2-(2,3-dimethoxyphenyl)pyridine

5-bromo-2-(2,3-dimethoxyphenyl)pyridine (PubChem CID 68621665) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethoxyphenyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethoxyphenyl)pyridine
PubChem CID68621665
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name5-bromo-2-(2,3-dimethoxyphenyl)pyridine
SMILESCOc1cccc(-c2ccc(Br)cn2)c1OC
InChIInChI=1S/C13H12BrNO2/c1-16-12-5-3-4-10(13(12)17-2)11-7-6-9(14)8-15-11/h3-8H,1-2H3
InChIKeyVNSWRZDZQOYXID-UHFFFAOYSA-N
XLogP3.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethoxyphenyl)pyridine?
The IUPAC name of 5-bromo-2-(2,3-dimethoxyphenyl)pyridine (CID 68621665) is 5-bromo-2-(2,3-dimethoxyphenyl)pyridine.
What is the SMILES notation for 5-bromo-2-(2,3-dimethoxyphenyl)pyridine?
The canonical SMILES for 5-bromo-2-(2,3-dimethoxyphenyl)pyridine is COc1cccc(-c2ccc(Br)cn2)c1OC.
What is the InChIKey of 5-bromo-2-(2,3-dimethoxyphenyl)pyridine?
The InChIKey is VNSWRZDZQOYXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-16-12-5-3-4-10(13(12)17-2)11-7-6-9(14)8-15-11/h3-8H,1-2H3.
What are the key properties of 5-bromo-2-(2,3-dimethoxyphenyl)pyridine?
5-bromo-2-(2,3-dimethoxyphenyl)pyridine has a molecular weight of 294.15 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethoxyphenyl)pyridine is sourced from PubChem (CID 68621665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).