ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate

C10H8F5NO2 — CID 134658831

IUPACethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F5NO2/c1-2-18-9(17)5-4-16-7(8(11)12)3-6(5)10(13,14)15/h3-4,8H,2H2,1H3
InChIKeyHNXPHKKNGDDQLM-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.21
Rot. Bonds3

About ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 134658831) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID134658831
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Nameethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F5NO2/c1-2-18-9(17)5-4-16-7(8(11)12)3-6(5)10(13,14)15/h3-4,8H,2H2,1H3
InChIKeyHNXPHKKNGDDQLM-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133091151
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
ethyl 4-chloro-6-(difluoromethyl)pyridine-3-carboxylate
CID 133088345
ethyl 6-(difluoromethyl)-4-methoxypyridine-3-carboxylate
CID 134682660
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133084605
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
ethyl 2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-3-carboxylate
CID 133100322
ethyl 3-amino-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134673697
ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672940
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134664341

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate (CID 134658831) is ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)cc1C(F)(F)F.
What is the InChIKey of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is HNXPHKKNGDDQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-2-18-9(17)5-4-16-7(8(11)12)3-6(5)10(13,14)15/h3-4,8H,2H2,1H3.
What are the key properties of ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 269.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134658831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).