ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate

C9H9F3N2O2 — CID 134664601

IUPACethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c(C(F)F)cc1F
InChIInChI=1S/C9H9F3N2O2/c1-2-16-9(15)6-5(10)3-4(7(11)12)8(13)14-6/h3,7H,2H2,1H3,(H2,13,14)
InChIKeyLWWSBXYXZYAIPF-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.92
Rot. Bonds3

About ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate

ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate (PubChem CID 134664601) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
PubChem CID134664601
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Nameethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1nc(N)c(C(F)F)cc1F
InChIInChI=1S/C9H9F3N2O2/c1-2-16-9(15)6-5(10)3-4(7(11)12)8(13)14-6/h3,7H,2H2,1H3,(H2,13,14)
InChIKeyLWWSBXYXZYAIPF-UHFFFAOYSA-N
XLogP1.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134685934
ethyl 3-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 134673743
ethyl 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104710
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134674901
ethyl 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134672008
ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675365
ethyl 3-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133104034
ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103828
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 2-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134677189
ethyl 5-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133103819

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate (CID 134664601) is ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate is CCOC(=O)c1nc(N)c(C(F)F)cc1F.
What is the InChIKey of ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The InChIKey is LWWSBXYXZYAIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-16-9(15)6-5(10)3-4(7(11)12)8(13)14-6/h3,7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate has a molecular weight of 234.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 134664601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).