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

C9H8F3NO3 — CID 133096834

IUPACethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(O)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3NO3/c1-2-16-8(15)5-3-4-6(14)7(13-5)9(10,11)12/h3-4,14H,2H2,1H3
InChIKeyBMEBTYMWSKOQBV-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.98
Rot. Bonds2

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

ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 133096834) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID133096834
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Nameethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(O)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3NO3/c1-2-16-8(15)5-3-4-6(14)7(13-5)9(10,11)12/h3-4,14H,2H2,1H3
InChIKeyBMEBTYMWSKOQBV-UHFFFAOYSA-N
XLogP1.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine-5-carboxylate
CID 157454103
ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133102463
ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441068
ethyl 6-(bromomethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 69441065
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
CID 66545150
ethyl 4-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134662339
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate (CID 133096834) is ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ccc(O)c(C(F)(F)F)n1.
What is the InChIKey of ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is BMEBTYMWSKOQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-2-16-8(15)5-3-4-6(14)7(13-5)9(10,11)12/h3-4,14H,2H2,1H3.
What are the key properties of ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 133096834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).