2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone

C11H14BrNO3 — CID 177214007

IUPAC2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone
SMILESCOCCOCc1ncccc1C(=O)CBr
InChIInChI=1S/C11H14BrNO3/c1-15-5-6-16-8-10-9(11(14)7-12)3-2-4-13-10/h2-4H,5-8H2,1H3
InChIKeyXDHNNZPMHLPKEQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.82
Rot. Bonds7

About 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone

2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone (PubChem CID 177214007) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone
PubChem CID177214007
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone
SMILESCOCCOCc1ncccc1C(=O)CBr
InChIInChI=1S/C11H14BrNO3/c1-15-5-6-16-8-10-9(11(14)7-12)3-2-4-13-10/h2-4H,5-8H2,1H3
InChIKeyXDHNNZPMHLPKEQ-UHFFFAOYSA-N
XLogP1.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[2-(2,2-difluoroethoxymethyl)-3-pyridinyl]ethanone
CID 177213923
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521
methyl 2-(2-bromoacetyl)pyridine-3-carboxylate;hydrobromide
CID 173079683
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
1-[2-(propan-2-yloxymethyl)-3-pyridinyl]propan-1-one
CID 176934932
2-(2-methoxyethyl)pyridin-3-ol
CID 119087382
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914
[2-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methanol
CID 104564183
N-(1-bromo-3-methoxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 106184021
methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
CID 153494128

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone (CID 177214007) is 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone is COCCOCc1ncccc1C(=O)CBr.
What is the InChIKey of 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone?
The InChIKey is XDHNNZPMHLPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-15-5-6-16-8-10-9(11(14)7-12)3-2-4-13-10/h2-4H,5-8H2,1H3.
What are the key properties of 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone?
2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone has a molecular weight of 288.14 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(2-methoxyethoxymethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 177214007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).