4-bromo-2,3,5-trimethoxypyridine

C8H10BrNO3 — CID 84706374

IUPAC4-bromo-2,3,5-trimethoxypyridine
SMILESCOc1cnc(OC)c(OC)c1Br
InChIInChI=1S/C8H10BrNO3/c1-11-5-4-10-8(13-3)7(12-2)6(5)9/h4H,1-3H3
InChIKeyNSMUUIZYUYNGES-UHFFFAOYSA-N
MW248.08 g/mol
LogP1.87
Rot. Bonds3

About 4-bromo-2,3,5-trimethoxypyridine

4-bromo-2,3,5-trimethoxypyridine (PubChem CID 84706374) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 4-bromo-2,3,5-trimethoxypyridine.

Molecular Properties

Compound Name4-bromo-2,3,5-trimethoxypyridine
PubChem CID84706374
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Name4-bromo-2,3,5-trimethoxypyridine
SMILESCOc1cnc(OC)c(OC)c1Br
InChIInChI=1S/C8H10BrNO3/c1-11-5-4-10-8(13-3)7(12-2)6(5)9/h4H,1-3H3
InChIKeyNSMUUIZYUYNGES-UHFFFAOYSA-N
XLogP1.87
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-trimethoxy-N-methylpyridine-4-carboxamide
CID 174936626
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
4-bromo-1,5-dimethoxyisoquinoline
CID 84712002
4-bromo-2-methoxy-3,5-dimethylpyridine
CID 67811684
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
4-bromo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 118850921
4-bromo-3-methoxy-5-methylpyridine
CID 118804882
4-bromo-1-methoxy-6-methylisoquinoline
CID 84707543
4-bromo-7-methoxy-2-methylfuro[2,3-c]pyridine
CID 118021480
4-bromo-1-methoxyisoquinolin-5-ol
CID 84708016
4-bromo-3-iodo-5-methoxypyridine
CID 133063942
4,5-dimethoxypyrimidin-2-amine
CID 12988104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3,5-trimethoxypyridine?
The IUPAC name of 4-bromo-2,3,5-trimethoxypyridine (CID 84706374) is 4-bromo-2,3,5-trimethoxypyridine.
What is the SMILES notation for 4-bromo-2,3,5-trimethoxypyridine?
The canonical SMILES for 4-bromo-2,3,5-trimethoxypyridine is COc1cnc(OC)c(OC)c1Br.
What is the InChIKey of 4-bromo-2,3,5-trimethoxypyridine?
The InChIKey is NSMUUIZYUYNGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c1-11-5-4-10-8(13-3)7(12-2)6(5)9/h4H,1-3H3.
What are the key properties of 4-bromo-2,3,5-trimethoxypyridine?
4-bromo-2,3,5-trimethoxypyridine has a molecular weight of 248.08 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3,5-trimethoxypyridine is sourced from PubChem (CID 84706374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).