ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate

C10H12F2N2O3 — CID 82006675

IUPACethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OCC(F)F)c1N
InChIInChI=1S/C10H12F2N2O3/c1-2-16-10(15)6-3-4-14-9(8(6)13)17-5-7(11)12/h3-4,7H,2,5,13H2,1H3
InChIKeyZOJHSFCNROMVCM-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.48
Rot. Bonds5

About ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate

ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate (PubChem CID 82006675) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
PubChem CID82006675
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Nameethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(OCC(F)F)c1N
InChIInChI=1S/C10H12F2N2O3/c1-2-16-10(15)6-3-4-14-9(8(6)13)17-5-7(11)12/h3-4,7H,2,5,13H2,1H3
InChIKeyZOJHSFCNROMVCM-UHFFFAOYSA-N
XLogP1.48
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboxylate
CID 115942367
ethyl 3-amino-2-(3-methoxy-3-methylbutoxy)pyridine-4-carboxylate
CID 106666343
ethyl 6-(2,2-difluoroethoxy)-2-methylpyridine-3-carboxylate
CID 87426994
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
ethyl 3-amino-2-(5-bromo-2-methylphenoxy)pyridine-4-carboxylate
CID 107285351
ethyl 2-amino-3-(2,2-difluoroethoxy)-5-fluorobenzoate
CID 103996530
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
ethyl 2-amino-5-(2,2-difluoroethoxy)-4-fluorobenzoate
CID 82006440
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 3-amino-2-(oxetan-3-ylsulfanyl)pyridine-4-carboxylate
CID 79325861
ethyl 3-amino-2-[methyl(2-methylsulfanylethyl)amino]pyridine-4-carboxylate
CID 112663485

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate (CID 82006675) is ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate is CCOC(=O)c1ccnc(OCC(F)F)c1N.
What is the InChIKey of ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate?
The InChIKey is ZOJHSFCNROMVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-2-16-10(15)6-3-4-14-9(8(6)13)17-5-7(11)12/h3-4,7H,2,5,13H2,1H3.
What are the key properties of ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate?
ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate has a molecular weight of 246.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(2,2-difluoroethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 82006675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).