2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate

C11H13ClFNO4 — CID 103885347

IUPAC2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
SMILESCOCCOCCOC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H13ClFNO4/c1-16-2-3-17-4-5-18-11(15)9-6-8(13)7-14-10(9)12/h6-7H,2-5H2,1H3
InChIKeyRRACHPBTAKCXBX-UHFFFAOYSA-N
MW277.68 g/mol
LogP1.69
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate

2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate (PubChem CID 103885347) has the molecular formula C11H13ClFNO4 and a molecular weight of 277.68 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
PubChem CID103885347
Molecular FormulaC11H13ClFNO4
Molecular Weight277.68 g/mol
Exact Mass277.05
IUPAC Name2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate
SMILESCOCCOCCOC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C11H13ClFNO4/c1-16-2-3-17-4-5-18-11(15)9-6-8(13)7-14-10(9)12/h6-7H,2-5H2,1H3
InChIKeyRRACHPBTAKCXBX-UHFFFAOYSA-N
XLogP1.69
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035411
2-butoxyethyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035402
propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 103881060
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
amino 2-chloro-5-fluoropyridine-3-carboxylate
CID 134381253
2-(2-methoxyethoxy)ethyl 5-chloro-2-fluorobenzoate
CID 112689579
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319
2-methoxyethyl 2,5-dichloropyridine-4-carboxylate
CID 114929181
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate
CID 105076040
2-chloro-5-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 113347307

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate (CID 103885347) is 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate is COCCOCCOC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate?
The InChIKey is RRACHPBTAKCXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4/c1-16-2-3-17-4-5-18-11(15)9-6-8(13)7-14-10(9)12/h6-7H,2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate?
2-(2-methoxyethoxy)ethyl 2-chloro-5-fluoropyridine-3-carboxylate has a molecular weight of 277.68 g/mol, XLogP of 1.69, 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 2-chloro-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 103885347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).