ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate

C10H8F5NO4 — CID 134660628

IUPACethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(OC(F)(F)F)cc(C(F)F)c1O
InChIInChI=1S/C10H8F5NO4/c1-2-19-9(18)6-7(17)4(8(11)12)3-5(16-6)20-10(13,14)15/h3,8,17H,2H2,1H3
InChIKeySJXWJJKCQQYSAX-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.80
Rot. Bonds4

About ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134660628) has the molecular formula C10H8F5NO4 and a molecular weight of 301.17 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134660628
Molecular FormulaC10H8F5NO4
Molecular Weight301.17 g/mol
Exact Mass301.04
IUPAC Nameethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(OC(F)(F)F)cc(C(F)F)c1O
InChIInChI=1S/C10H8F5NO4/c1-2-19-9(18)6-7(17)4(8(11)12)3-5(16-6)20-10(13,14)15/h3,8,17H,2H2,1H3
InChIKeySJXWJJKCQQYSAX-UHFFFAOYSA-N
XLogP2.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
ethyl 4-amino-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087422
ethyl 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134676389
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
CID 118823942
ethyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133102463
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668484
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453
ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568
ethyl 3-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668250

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 134660628) is ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1nc(OC(F)(F)F)cc(C(F)F)c1O.
What is the InChIKey of ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is SJXWJJKCQQYSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO4/c1-2-19-9(18)6-7(17)4(8(11)12)3-5(16-6)20-10(13,14)15/h3,8,17H,2H2,1H3.
What are the key properties of ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 301.17 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134660628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).