ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate

C11H13F2NO4 — CID 134670769

IUPACethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(OC)c1OC
InChIInChI=1S/C11H13F2NO4/c1-4-18-11(15)6-5-7(9(12)13)14-10(17-3)8(6)16-2/h5,9H,4H2,1-3H3
InChIKeyUEFMTUOJQXLTMX-UHFFFAOYSA-N
MW261.22 g/mol
LogP2.21
Rot. Bonds5

About ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate

ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate (PubChem CID 134670769) has the molecular formula C11H13F2NO4 and a molecular weight of 261.22 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
PubChem CID134670769
Molecular FormulaC11H13F2NO4
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Nameethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)nc(OC)c1OC
InChIInChI=1S/C11H13F2NO4/c1-4-18-11(15)6-5-7(9(12)13)14-10(17-3)8(6)16-2/h5,9H,4H2,1-3H3
InChIKeyUEFMTUOJQXLTMX-UHFFFAOYSA-N
XLogP2.21
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate (CID 134670769) is ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate is CCOC(=O)c1cc(C(F)F)nc(OC)c1OC.
What is the InChIKey of ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate?
The InChIKey is UEFMTUOJQXLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4/c1-4-18-11(15)6-5-7(9(12)13)14-10(17-3)8(6)16-2/h5,9H,4H2,1-3H3.
What are the key properties of ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate?
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate has a molecular weight of 261.22 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate is sourced from PubChem (CID 134670769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).