ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate

C11H10F5NO3 — CID 133098842

IUPACethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(C(F)(F)F)c1OC
InChIInChI=1S/C11H10F5NO3/c1-3-20-10(18)5-4-17-7(9(12)13)6(8(5)19-2)11(14,15)16/h4,9H,3H2,1-2H3
InChIKeySXSZFLAREYLKCD-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.22
Rot. Bonds4

About ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 133098842) has the molecular formula C11H10F5NO3 and a molecular weight of 299.20 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID133098842
Molecular FormulaC11H10F5NO3
Molecular Weight299.20 g/mol
Exact Mass299.06
IUPAC Nameethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C(F)F)c(C(F)(F)F)c1OC
InChIInChI=1S/C11H10F5NO3/c1-3-20-10(18)5-4-17-7(9(12)13)6(8(5)19-2)11(14,15)16/h4,9H,3H2,1-2H3
InChIKeySXSZFLAREYLKCD-UHFFFAOYSA-N
XLogP3.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
Methyl 4-Methoxynicotinate
CID 10678657
Ethyl 6-(difluoromethyl)pyridine-3-carboxylate
CID 102229147
Ethyl 4-methoxy-2,5,6-trimethylpyridine-3-carboxylate
CID 118617535
3-Acetyl-2-(trifluoromethyl)-4-pyridyl acetate
CID 723670
Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate
CID 11390362
Methyl 6-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 89600889
Methyl 2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 89601073
2-(4-Fluoro-phenoxy)-nicotinic acid ethyl ester
CID 40061540
Ethyl 4,6-Dimethoxy-2-(trifluoromethyl)-3-pyridinecarboxylate
CID 13726786
Methyl 2-(2,4-difluorophenoxy)pyridine-3-carboxylate
CID 85615603
4-[(1,1,1,3,3,3-Hexafluoropropan-2-yl)oxy]nicotinic acid
CID 102721817

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate (CID 133098842) is ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(C(F)F)c(C(F)(F)F)c1OC.
What is the InChIKey of ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is SXSZFLAREYLKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO3/c1-3-20-10(18)5-4-17-7(9(12)13)6(8(5)19-2)11(14,15)16/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 299.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 133098842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).