ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C16H11F3N2O3 — CID 139117344

IUPACethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C#N)c(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C16H11F3N2O3/c1-2-24-15(23)14-13(22)7-11(12(8-20)21-14)9-3-5-10(6-4-9)16(17,18)19/h3-7,22H,2H2,1H3
InChIKeyGKDDKESKGVNJBA-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.52
Rot. Bonds3

About ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 139117344) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID139117344
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Nameethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C#N)c(-c2ccc(C(F)(F)F)cc2)cc1O
InChIInChI=1S/C16H11F3N2O3/c1-2-24-15(23)14-13(22)7-11(12(8-20)21-14)9-3-5-10(6-4-9)16(17,18)19/h3-7,22H,2H2,1H3
InChIKeyGKDDKESKGVNJBA-UHFFFAOYSA-N
XLogP3.52
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 139117343
Ethyl 3-hydroxyquinoline-2-carboxylate
CID 19692231
Methyl 6-(2,6-difluoro-3-hydroxyphenyl)picolinate
CID 59226413
Butyl 4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carboxylate
CID 66712905
3-Methoxy-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 67025478
Butyl 1-cyano-4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carboxylate
CID 67110252
Methyl 5-(4-fluorobenzyl)-3-hydroxy-4-methylpicolinate
CID 67294292
4-Amino-5-fluoro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylic acid
CID 71150577
4-Amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-methoxypyridine-2-carboxylic acid
CID 71175247
Methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 71175262
Methyl 4-amino-6-(4-cyanophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate
CID 71175267
4-Amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 71175274

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 139117344) is ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is CCOC(=O)c1nc(C#N)c(-c2ccc(C(F)(F)F)cc2)cc1O.
What is the InChIKey of ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is GKDDKESKGVNJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c1-2-24-15(23)14-13(22)7-11(12(8-20)21-14)9-3-5-10(6-4-9)16(17,18)19/h3-7,22H,2H2,1H3.
What are the key properties of ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 336.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyano-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 139117344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).