3-bromo-5-methylpyridine;methyl formate

C8H10BrNO2 — CID 174794346

IUPAC3-bromo-5-methylpyridine;methyl formate
SMILESCOC=O.Cc1cncc(Br)c1
InChIInChI=1S/C6H6BrN.C2H4O2/c1-5-2-6(7)4-8-3-5;1-4-2-3/h2-4H,1H3;2H,1H3
InChIKeyBTQWPOVRUSSDON-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.94
Rot. Bonds1

About 3-bromo-5-methylpyridine;methyl formate

3-bromo-5-methylpyridine;methyl formate (PubChem CID 174794346) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-5-methylpyridine;methyl formate.

Molecular Properties

Compound Name3-bromo-5-methylpyridine;methyl formate
PubChem CID174794346
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-bromo-5-methylpyridine;methyl formate
SMILESCOC=O.Cc1cncc(Br)c1
InChIInChI=1S/C6H6BrN.C2H4O2/c1-5-2-6(7)4-8-3-5;1-4-2-3/h2-4H,1H3;2H,1H3
InChIKeyBTQWPOVRUSSDON-UHFFFAOYSA-N
XLogP1.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methylpyridine;methyl formate?
The IUPAC name of 3-bromo-5-methylpyridine;methyl formate (CID 174794346) is 3-bromo-5-methylpyridine;methyl formate.
What is the SMILES notation for 3-bromo-5-methylpyridine;methyl formate?
The canonical SMILES for 3-bromo-5-methylpyridine;methyl formate is COC=O.Cc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-methylpyridine;methyl formate?
The InChIKey is BTQWPOVRUSSDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.C2H4O2/c1-5-2-6(7)4-8-3-5;1-4-2-3/h2-4H,1H3;2H,1H3.
What are the key properties of 3-bromo-5-methylpyridine;methyl formate?
3-bromo-5-methylpyridine;methyl formate has a molecular weight of 232.08 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methylpyridine;methyl formate is sourced from PubChem (CID 174794346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).