4-bromo-2-(methoxymethyl)pyridine

C7H8BrNO — CID 58355080

IUPAC4-bromo-2-(methoxymethyl)pyridine
SMILESCOCc1cc(Br)ccn1
InChIInChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
InChIKeyZORPPTKICHKCHP-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.99
Rot. Bonds2

About 4-bromo-2-(methoxymethyl)pyridine

4-bromo-2-(methoxymethyl)pyridine (PubChem CID 58355080) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(methoxymethyl)pyridine
PubChem CID58355080
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name4-bromo-2-(methoxymethyl)pyridine
SMILESCOCc1cc(Br)ccn1
InChIInChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
InChIKeyZORPPTKICHKCHP-UHFFFAOYSA-N
XLogP1.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethyl)pyridine?
The IUPAC name of 4-bromo-2-(methoxymethyl)pyridine (CID 58355080) is 4-bromo-2-(methoxymethyl)pyridine.
What is the SMILES notation for 4-bromo-2-(methoxymethyl)pyridine?
The canonical SMILES for 4-bromo-2-(methoxymethyl)pyridine is COCc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-(methoxymethyl)pyridine?
The InChIKey is ZORPPTKICHKCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3.
What are the key properties of 4-bromo-2-(methoxymethyl)pyridine?
4-bromo-2-(methoxymethyl)pyridine has a molecular weight of 202.05 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methoxymethyl)pyridine is sourced from PubChem (CID 58355080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).