2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate

C11H14ClNO4 — CID 104567564

IUPAC2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
SMILESCOCCOCCOC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H14ClNO4/c1-15-4-5-16-6-7-17-11(14)10-8-9(12)2-3-13-10/h2-3,8H,4-7H2,1H3
InChIKeyPJKDHDKXAIFRFM-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.55
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate

2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate (PubChem CID 104567564) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
PubChem CID104567564
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
SMILESCOCCOCCOC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H14ClNO4/c1-15-4-5-16-6-7-17-11(14)10-8-9(12)2-3-13-10/h2-3,8H,4-7H2,1H3
InChIKeyPJKDHDKXAIFRFM-UHFFFAOYSA-N
XLogP1.55
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)ethyl 4-chloropyridine-2-carboxylate
CID 106450533
2-propan-2-yloxyethyl 4-chloropyridine-2-carboxylate
CID 60705355
3-phenylpropyl 4-chloropyridine-2-carboxylate
CID 60656407
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
cyclopropylmethyl 4-chloropyridine-2-carboxylate
CID 63840175
(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate
CID 7802632
(2-chlorophenyl)methyl 4-chloropyridine-2-carboxylate
CID 60630389
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-[[4-chloro-6-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]phenyl]carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 11994056
cyclohexylmethyl 4-chloropyridine-2-carboxylate
CID 55032091
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8588920
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906394

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate (CID 104567564) is 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate is COCCOCCOC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate?
The InChIKey is PJKDHDKXAIFRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c1-15-4-5-16-6-7-17-11(14)10-8-9(12)2-3-13-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate?
2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate has a molecular weight of 259.69 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 104567564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).