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

C14H14BrNO3 — CID 141375557

IUPAC3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cncc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C14H14BrNO3/c1-17-12-5-9(6-13(18-2)14(12)19-3)10-4-11(15)8-16-7-10/h4-8H,1-3H3
InChIKeyWLQJNYXSUALDKA-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.54
Rot. Bonds4

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

3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 141375557) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID141375557
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2cncc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C14H14BrNO3/c1-17-12-5-9(6-13(18-2)14(12)19-3)10-4-11(15)8-16-7-10/h4-8H,1-3H3
InChIKeyWLQJNYXSUALDKA-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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Related Compounds

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
ethyl 5-(3,4,5-trimethoxyphenyl)pyridine-3-carboxylate
CID 22557861
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
N-methyl-1-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]oxymethyl]cyclopropan-1-amine
CID 68530219
3-bromo-5-[3-(5-bromo-3-pyridinyl)phenyl]pyridine
CID 58321914
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
CID 53381610
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 2605916
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
4-(5-bromo-3-pyridinyl)phenol
CID 68606449
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine (CID 141375557) is 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2cncc(Br)c2)cc(OC)c1OC.
What is the InChIKey of 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is WLQJNYXSUALDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-17-12-5-9(6-13(18-2)14(12)19-3)10-4-11(15)8-16-7-10/h4-8H,1-3H3.
What are the key properties of 3-bromo-5-(3,4,5-trimethoxyphenyl)pyridine?
3-bromo-5-(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-5-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 141375557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).