ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate

C10H12F2N2O2 — CID 115407605

IUPACethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(F)F
InChIInChI=1S/C10H12F2N2O2/c1-2-16-10(15)7-4-3-5-13-9(7)14-6-8(11)12/h3-5,8H,2,6H2,1H3,(H,13,14)
InChIKeyLMMAWQJUNDZWLH-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.94
Rot. Bonds5

About ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate

ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate (PubChem CID 115407605) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
PubChem CID115407605
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Nameethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(F)F
InChIInChI=1S/C10H12F2N2O2/c1-2-16-10(15)7-4-3-5-13-9(7)14-6-8(11)12/h3-5,8H,2,6H2,1H3,(H,13,14)
InChIKeyLMMAWQJUNDZWLH-UHFFFAOYSA-N
XLogP1.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
CID 104695418
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate
CID 47082819
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate (CID 115407605) is ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC(F)F.
What is the InChIKey of ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate?
The InChIKey is LMMAWQJUNDZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-2-16-10(15)7-4-3-5-13-9(7)14-6-8(11)12/h3-5,8H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate?
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate has a molecular weight of 230.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 115407605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).