ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate

C10H8F5NO3 — CID 133102463

IUPACethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(O)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F5NO3/c1-2-19-9(18)5-3-4(8(11)12)6(17)7(16-5)10(13,14)15/h3,8,17H,2H2,1H3
InChIKeyUHBKSYXOLZIAFV-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.92
Rot. Bonds3

About ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate

ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 133102463) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID133102463
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Nameethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(O)c(C(F)(F)F)n1
InChIInChI=1S/C10H8F5NO3/c1-2-19-9(18)5-3-4(8(11)12)6(17)7(16-5)10(13,14)15/h3,8,17H,2H2,1H3
InChIKeyUHBKSYXOLZIAFV-UHFFFAOYSA-N
XLogP2.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133096834
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134664341
ethyl 4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylate
CID 133102147
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660628
ethyl 4-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134677221
ethyl 5-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134685121
ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134664578
ethyl 5-cyano-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133106979
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate (CID 133102463) is ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(C(F)F)c(O)c(C(F)(F)F)n1.
What is the InChIKey of ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is UHBKSYXOLZIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-2-19-9(18)5-3-4(8(11)12)6(17)7(16-5)10(13,14)15/h3,8,17H,2H2,1H3.
What are the key properties of ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 285.17 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 133102463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).