2-bromo-3-ethoxypyridine

C7H8BrNO — CID 10631926

IUPAC2-bromo-3-ethoxypyridine
SMILESCCOc1cccnc1Br
InChIInChI=1S/C7H8BrNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKeyREVXDUVZKACDQT-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.24
Rot. Bonds2

About 2-bromo-3-ethoxypyridine

2-bromo-3-ethoxypyridine (PubChem CID 10631926) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromo-3-ethoxypyridine.

Molecular Properties

Compound Name2-bromo-3-ethoxypyridine
PubChem CID10631926
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-bromo-3-ethoxypyridine
SMILESCCOc1cccnc1Br
InChIInChI=1S/C7H8BrNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKeyREVXDUVZKACDQT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-3-pyridinol
CID 23070
3-Methoxypyridine
CID 23719
3-Pyridyl acetate
CID 87289
A-85380
CID 5310969
A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
1-(6-Bromo-5-Ethoxypyridin-3-Yl)-1,4-Diazepane
CID 10402507
2-Ethoxypyridine
CID 84499
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-(2-Azetidinylmethoxy)pyridine
CID 1962
5-[[(2S)-azetidin-2-yl]methoxy]-2-bromopyridine
CID 10060316

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethoxypyridine?
The IUPAC name of 2-bromo-3-ethoxypyridine (CID 10631926) is 2-bromo-3-ethoxypyridine.
What is the SMILES notation for 2-bromo-3-ethoxypyridine?
The canonical SMILES for 2-bromo-3-ethoxypyridine is CCOc1cccnc1Br.
What is the InChIKey of 2-bromo-3-ethoxypyridine?
The InChIKey is REVXDUVZKACDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-2-10-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-3-ethoxypyridine?
2-bromo-3-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 2-bromo-3-ethoxypyridine is sourced from PubChem (CID 10631926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).