ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate

C10H9F2N3O2 — CID 134664578

IUPACethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(C#N)c(N)n1
InChIInChI=1S/C10H9F2N3O2/c1-2-17-10(16)7-3-5(8(11)12)6(4-13)9(14)15-7/h3,8H,2H2,1H3,(H2,14,15)
InChIKeyKGNOBGUOOKPJGB-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.65
Rot. Bonds3

About ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate

ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134664578) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134664578
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Nameethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(C#N)c(N)n1
InChIInChI=1S/C10H9F2N3O2/c1-2-17-10(16)7-3-5(8(11)12)6(4-13)9(14)15-7/h3,8H,2H2,1H3,(H2,14,15)
InChIKeyKGNOBGUOOKPJGB-UHFFFAOYSA-N
XLogP1.65
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-cyano-4-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134684272
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134685121
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134674106
ethyl 6-(chloromethyl)-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 133106560
ethyl 5-cyano-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133106979
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 134684998
ethyl 4-cyano-5-(difluoromethyl)-6-iodopyridine-2-carboxylate
CID 134661200
ethyl 3-(chloromethyl)-4-cyano-5-(difluoromethyl)benzoate
CID 134651184

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate (CID 134664578) is ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(C(F)F)c(C#N)c(N)n1.
What is the InChIKey of ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is KGNOBGUOOKPJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-2-17-10(16)7-3-5(8(11)12)6(4-13)9(14)15-7/h3,8H,2H2,1H3,(H2,14,15).
What are the key properties of ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate?
ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 241.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134664578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).