2-bromo-3-(methoxymethyl)pyridine;ethane

C9H14BrNO — CID 144882027

IUPAC2-bromo-3-(methoxymethyl)pyridine;ethane
SMILESCC.COCc1cccnc1Br
InChIInChI=1S/C7H8BrNO.C2H6/c1-10-5-6-3-2-4-9-7(6)8;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyVZEPVNSRMKNZQO-UHFFFAOYSA-N
MW232.12 g/mol
LogP3.02
Rot. Bonds2

About 2-bromo-3-(methoxymethyl)pyridine;ethane

2-bromo-3-(methoxymethyl)pyridine;ethane (PubChem CID 144882027) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-bromo-3-(methoxymethyl)pyridine;ethane.

Molecular Properties

Compound Name2-bromo-3-(methoxymethyl)pyridine;ethane
PubChem CID144882027
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name2-bromo-3-(methoxymethyl)pyridine;ethane
SMILESCC.COCc1cccnc1Br
InChIInChI=1S/C7H8BrNO.C2H6/c1-10-5-6-3-2-4-9-7(6)8;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyVZEPVNSRMKNZQO-UHFFFAOYSA-N
XLogP3.02
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 53.02
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

2,3-dibromo-4-(methoxymethyl)pyridine
CID 86647962
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
3-(methoxymethyl)-N-methylpyridin-2-amine
CID 62464572
3-(methoxymethyl)pyridine-2-carbaldehyde
CID 87637871
2-(2-bromo-3-pyridinyl)ethanol
CID 87594301
2-(4-chlorophenyl)-3-(methoxymethyl)pyridine
CID 59165700
N-[(2-bromo-3-pyridinyl)methyl]hydroxylamine
CID 146749341
2-(2-bromo-3-pyridinyl)acetaldehyde
CID 58138967
5-[(2-bromo-3-pyridinyl)methoxy]-2-methoxypyridine-4-carbaldehyde
CID 71621759
2-bromo-3-methylpyridine;ethane
CID 143610978
2-bromo-3-dodecylpyridine;hydrate
CID 162319717
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(methoxymethyl)pyridine;ethane?
The IUPAC name of 2-bromo-3-(methoxymethyl)pyridine;ethane (CID 144882027) is 2-bromo-3-(methoxymethyl)pyridine;ethane.
What is the SMILES notation for 2-bromo-3-(methoxymethyl)pyridine;ethane?
The canonical SMILES for 2-bromo-3-(methoxymethyl)pyridine;ethane is CC.COCc1cccnc1Br.
What is the InChIKey of 2-bromo-3-(methoxymethyl)pyridine;ethane?
The InChIKey is VZEPVNSRMKNZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO.C2H6/c1-10-5-6-3-2-4-9-7(6)8;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of 2-bromo-3-(methoxymethyl)pyridine;ethane?
2-bromo-3-(methoxymethyl)pyridine;ethane has a molecular weight of 232.12 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(methoxymethyl)pyridine;ethane is sourced from PubChem (CID 144882027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).