3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate

C12H15Cl2NO4 — CID 106994631

IUPAC3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
SMILESCOCCOCCCOC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H15Cl2NO4/c1-17-7-8-18-5-2-6-19-12(16)9-3-4-10(13)15-11(9)14/h3-4H,2,5-8H2,1H3
InChIKeySZPWOMRHRDBWGK-UHFFFAOYSA-N
MW308.16 g/mol
LogP2.60
Rot. Bonds8

About 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate

3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate (PubChem CID 106994631) has the molecular formula C12H15Cl2NO4 and a molecular weight of 308.16 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
PubChem CID106994631
Molecular FormulaC12H15Cl2NO4
Molecular Weight308.16 g/mol
Exact Mass307.04
IUPAC Name3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate
SMILESCOCCOCCCOC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H15Cl2NO4/c1-17-7-8-18-5-2-6-19-12(16)9-3-4-10(13)15-11(9)14/h3-4H,2,5-8H2,1H3
InChIKeySZPWOMRHRDBWGK-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

3-(2-methoxyethoxy)propyl 2-chloro-5-fluoropyridine-3-carboxylate
CID 114035411
2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345
2-(3-methoxypropoxy)ethyl 4-amino-2-chlorobenzoate
CID 103178455
2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
CID 106994670
3-(2-methoxyethoxy)propyl 4-amino-2-methylbenzoate
CID 103403389
2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
CID 106994651
3-(2-methoxyethoxy)propyl 2-fluoro-3-methylbenzoate
CID 103407273
3-(2-methoxyethoxy)propyl 2-(methylamino)benzoate
CID 103403616
ethyl 2-chloro-6-cyclopropylpyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
CID 175912460
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
2-hydroxypropan-2-yl 2,6-dichloropyridine-3-carboxylate
CID 143641342
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2,5-dichlorobenzoate
CID 101066319

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate (CID 106994631) is 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate is COCCOCCCOC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate?
The InChIKey is SZPWOMRHRDBWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4/c1-17-7-8-18-5-2-6-19-12(16)9-3-4-10(13)15-11(9)14/h3-4H,2,5-8H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate?
3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-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 3-(2-methoxyethoxy)propyl 2,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 106994631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).