3-(2-bromoethyl)-5-methoxypyridine

C8H10BrNO — CID 22037882

IUPAC3-(2-bromoethyl)-5-methoxypyridine
SMILESCOc1cncc(CCBr)c1
InChIInChI=1S/C8H10BrNO/c1-11-8-4-7(2-3-9)5-10-6-8/h4-6H,2-3H2,1H3
InChIKeyQAJGYHSGOGYLKZ-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.03
Rot. Bonds3

About 3-(2-bromoethyl)-5-methoxypyridine

3-(2-bromoethyl)-5-methoxypyridine (PubChem CID 22037882) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-(2-bromoethyl)-5-methoxypyridine.

Molecular Properties

Compound Name3-(2-bromoethyl)-5-methoxypyridine
PubChem CID22037882
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name3-(2-bromoethyl)-5-methoxypyridine
SMILESCOc1cncc(CCBr)c1
InChIInChI=1S/C8H10BrNO/c1-11-8-4-7(2-3-9)5-10-6-8/h4-6H,2-3H2,1H3
InChIKeyQAJGYHSGOGYLKZ-UHFFFAOYSA-N
XLogP2.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
1-(2-bromoethyl)-3-methoxy-5-methylbenzene
CID 174367623
2-[(5-methoxy-3-pyridinyl)methoxy]ethanamine
CID 70124527
1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide
CID 165445890
3-tert-butyl-5-methoxypyridine
CID 21031507
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
5-(2-bromoethyl)-2-methoxypyrimidine
CID 126979294
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
5-(2-bromoethyl)pyridine-3-carboxamide
CID 91033103

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-5-methoxypyridine?
The IUPAC name of 3-(2-bromoethyl)-5-methoxypyridine (CID 22037882) is 3-(2-bromoethyl)-5-methoxypyridine.
What is the SMILES notation for 3-(2-bromoethyl)-5-methoxypyridine?
The canonical SMILES for 3-(2-bromoethyl)-5-methoxypyridine is COc1cncc(CCBr)c1.
What is the InChIKey of 3-(2-bromoethyl)-5-methoxypyridine?
The InChIKey is QAJGYHSGOGYLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-11-8-4-7(2-3-9)5-10-6-8/h4-6H,2-3H2,1H3.
What are the key properties of 3-(2-bromoethyl)-5-methoxypyridine?
3-(2-bromoethyl)-5-methoxypyridine has a molecular weight of 216.08 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-5-methoxypyridine is sourced from PubChem (CID 22037882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).