2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate

C11H13Cl2NO4 — CID 71347471

IUPAC2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate
SMILESCOC(C)(COC(=O)c1cc(Cl)nc(Cl)c1)OC
InChIInChI=1S/C11H13Cl2NO4/c1-11(16-2,17-3)6-18-10(15)7-4-8(12)14-9(13)5-7/h4-5H,6H2,1-3H3
InChIKeyGNJMQXQJGXSYLH-UHFFFAOYSA-N
MW294.13 g/mol
LogP2.55
Rot. Bonds5

About 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate

2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate (PubChem CID 71347471) has the molecular formula C11H13Cl2NO4 and a molecular weight of 294.13 g/mol. Its IUPAC name is 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate.

Molecular Properties

Compound Name2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate
PubChem CID71347471
Molecular FormulaC11H13Cl2NO4
Molecular Weight294.13 g/mol
Exact Mass293.02
IUPAC Name2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate
SMILESCOC(C)(COC(=O)c1cc(Cl)nc(Cl)c1)OC
InChIInChI=1S/C11H13Cl2NO4/c1-11(16-2,17-3)6-18-10(15)7-4-8(12)14-9(13)5-7/h4-5H,6H2,1-3H3
InChIKeyGNJMQXQJGXSYLH-UHFFFAOYSA-N
XLogP2.55
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropoxy)ethyl 2,6-dichloropyridine-4-carboxylate
CID 103181345
methyl 2-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxylate
CID 176894230
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
cyclohexylmethyl 2,6-dichloropyridine-4-carboxylate
CID 60716775
(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
2,2-dimethylpropyl 3,5-dichloro-4-fluorobenzoate
CID 14692895
benzyl 2-chloro-6-methoxypyridine-4-carboxylate
CID 172647187
methyl 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
CID 146241727
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
oxolan-2-ylmethyl 2,6-dichloropyridine-4-carboxylate
CID 63841492

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate?
The IUPAC name of 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate (CID 71347471) is 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate.
What is the SMILES notation for 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate?
The canonical SMILES for 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate is COC(C)(COC(=O)c1cc(Cl)nc(Cl)c1)OC.
What is the InChIKey of 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate?
The InChIKey is GNJMQXQJGXSYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4/c1-11(16-2,17-3)6-18-10(15)7-4-8(12)14-9(13)5-7/h4-5H,6H2,1-3H3.
What are the key properties of 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate?
2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate has a molecular weight of 294.13 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropyl 2,6-dichloropyridine-4-carboxylate is sourced from PubChem (CID 71347471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).