2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate

C12H15Cl2NO4 — CID 103181345

IUPAC2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
SMILESCOCCCOCCOC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H15Cl2NO4/c1-17-3-2-4-18-5-6-19-12(16)9-7-10(13)15-11(14)8-9/h7-8H,2-6H2,1H3
InChIKeyAHQAXWYMDQEOKX-UHFFFAOYSA-N
MW308.16 g/mol
LogP2.60
Rot. Bonds8

About 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate

2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 103181345) has the molecular formula C12H15Cl2NO4 and a molecular weight of 308.16 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
PubChem CID103181345
Molecular FormulaC12H15Cl2NO4
Molecular Weight308.16 g/mol
Exact Mass307.04
IUPAC Name2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
SMILESCOCCCOCCOC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H15Cl2NO4/c1-17-3-2-4-18-5-6-19-12(16)9-7-10(13)15-11(14)8-9/h7-8H,2-6H2,1H3
InChIKeyAHQAXWYMDQEOKX-UHFFFAOYSA-N
XLogP2.60
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 52.60
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

2-(3-methoxypropoxy)ethyl 4-amino-3-chlorobenzoate
CID 103178284
2-(2-methoxyethoxy)ethyl 3-chloro-5-methylbenzoate
CID 176947358
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
CID 103178437
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615
3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
CID 106994631
2-(3-methoxypropoxy)ethyl 4-chloro-3-nitrobenzoate
CID 103181389
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] heptacyclo[49.3.1.16,10.115,19.124,28.133,37.142,46]hexaconta-1(55),6(60),7,9,15(59),16,18,24(58),25,27,33,35,37(57),42,44,46(56),51,53-octadecaen-2,4,11,13,20,22,29,31,38,40,47,49-dodecayne-8,17,26,35,44,53-hexacarboxylate
CID 101145342
bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 5-(methylamino)benzene-1,3-dicarboxylate
CID 102205051
2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate
CID 71347471
3-(2-methoxyethoxy)propyl 2-fluoropyridine-4-carboxylate
CID 103407266
2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate
CID 103178589

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate (CID 103181345) is 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate is COCCCOCCOC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate?
The InChIKey is AHQAXWYMDQEOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4/c1-17-3-2-4-18-5-6-19-12(16)9-7-10(13)15-11(14)8-9/h7-8H,2-6H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate?
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 308.16 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 103181345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).