3-bromo-2-ethoxypyridine

C7H8BrNO — CID 10987308

IUPAC3-bromo-2-ethoxypyridine
SMILESCCOc1ncccc1Br
InChIInChI=1S/C7H8BrNO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKeyKLQBFCAXXZMOLZ-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.24
Rot. Bonds2

About 3-bromo-2-ethoxypyridine

3-bromo-2-ethoxypyridine (PubChem CID 10987308) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 3-bromo-2-ethoxypyridine.

Molecular Properties

Compound Name3-bromo-2-ethoxypyridine
PubChem CID10987308
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name3-bromo-2-ethoxypyridine
SMILESCCOc1ncccc1Br
InChIInChI=1S/C7H8BrNO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3
InChIKeyKLQBFCAXXZMOLZ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-ethoxypyridine?
The IUPAC name of 3-bromo-2-ethoxypyridine (CID 10987308) is 3-bromo-2-ethoxypyridine.
What is the SMILES notation for 3-bromo-2-ethoxypyridine?
The canonical SMILES for 3-bromo-2-ethoxypyridine is CCOc1ncccc1Br.
What is the InChIKey of 3-bromo-2-ethoxypyridine?
The InChIKey is KLQBFCAXXZMOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-2-10-7-6(8)4-3-5-9-7/h3-5H,2H2,1H3.
What are the key properties of 3-bromo-2-ethoxypyridine?
3-bromo-2-ethoxypyridine has a molecular weight of 202.05 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethoxypyridine is sourced from PubChem (CID 10987308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).