ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate

C10H11F2NO3 — CID 103866910

IUPACethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC(F)F)nc1
InChIInChI=1S/C10H11F2NO3/c1-2-15-10(14)7-3-4-9(13-5-7)16-6-8(11)12/h3-5,8H,2,6H2,1H3
InChIKeyYLXIUNRFBXVBQV-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.90
Rot. Bonds5

About ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate

ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate (PubChem CID 103866910) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
PubChem CID103866910
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(OCC(F)F)nc1
InChIInChI=1S/C10H11F2NO3/c1-2-15-10(14)7-3-4-9(13-5-7)16-6-8(11)12/h3-5,8H,2,6H2,1H3
InChIKeyYLXIUNRFBXVBQV-UHFFFAOYSA-N
XLogP1.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate
CID 87426994
6-(2,2-difluoroethoxy)pyridine-3-carbothioamide
CID 82004872
ethyl 6-methanethioyloxypyridine-3-carboxylate
CID 87198235
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
ethyl 4-amino-3-(2,2-difluoroethoxy)benzoate
CID 82796062
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate (CID 103866910) is ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate is CCOC(=O)c1ccc(OCC(F)F)nc1.
What is the InChIKey of ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
The InChIKey is YLXIUNRFBXVBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-2-15-10(14)7-3-4-9(13-5-7)16-6-8(11)12/h3-5,8H,2,6H2,1H3.
What are the key properties of ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate?
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate has a molecular weight of 231.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 103866910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).