3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine

C14H14BrNO3 — CID 90670565

IUPAC3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ncccc2Br)cc(OC)c1OC
InChIInChI=1S/C14H14BrNO3/c1-17-11-7-9(8-12(18-2)14(11)19-3)13-10(15)5-4-6-16-13/h4-8H,1-3H3
InChIKeyJKTCQSLFSNRGFD-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.54
Rot. Bonds4

About 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine

3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 90670565) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID90670565
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ncccc2Br)cc(OC)c1OC
InChIInChI=1S/C14H14BrNO3/c1-17-11-7-9(8-12(18-2)14(11)19-3)13-10(15)5-4-6-16-13/h4-8H,1-3H3
InChIKeyJKTCQSLFSNRGFD-UHFFFAOYSA-N
XLogP3.54
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine (CID 90670565) is 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2ncccc2Br)cc(OC)c1OC.
What is the InChIKey of 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is JKTCQSLFSNRGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-17-11-7-9(8-12(18-2)14(11)19-3)13-10(15)5-4-6-16-13/h4-8H,1-3H3.
What are the key properties of 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine?
3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 324.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 90670565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).