2-methoxyethyl 2,5-dichloropyridine-4-carboxylate

C9H9Cl2NO3 — CID 114929181

IUPAC2-methoxyethyl 2,5-dichloropyridine-4-carboxylate
SMILESCOCCOC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-14-2-3-15-9(13)6-4-8(11)12-5-7(6)10/h4-5H,2-3H2,1H3
InChIKeyQSKRWOSNDFPTGV-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.19
Rot. Bonds4

About 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate

2-methoxyethyl 2,5-dichloropyridine-4-carboxylate (PubChem CID 114929181) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2,5-dichloropyridine-4-carboxylate
PubChem CID114929181
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name2-methoxyethyl 2,5-dichloropyridine-4-carboxylate
SMILESCOCCOC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-14-2-3-15-9(13)6-4-8(11)12-5-7(6)10/h4-5H,2-3H2,1H3
InChIKeyQSKRWOSNDFPTGV-UHFFFAOYSA-N
XLogP2.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptyl 2,5-dichloropyridine-4-carboxylate
CID 114929183
(4-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929193
(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
2-methoxyethyl 4-chloropyridine-3-carboxylate
CID 115885964
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103885347
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
2,5-dichloro-N-(3-propan-2-yloxypropyl)pyridine-4-carboxamide
CID 114918195
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114918592
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate?
The IUPAC name of 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate (CID 114929181) is 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate is COCCOC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate?
The InChIKey is QSKRWOSNDFPTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-14-2-3-15-9(13)6-4-8(11)12-5-7(6)10/h4-5H,2-3H2,1H3.
What are the key properties of 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate?
2-methoxyethyl 2,5-dichloropyridine-4-carboxylate has a molecular weight of 250.08 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,5-dichloropyridine-4-carboxylate is sourced from PubChem (CID 114929181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).