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

C11H10F5NO3 — CID 133098576

IUPACethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F5NO3/c1-3-20-10(18)5-4-17-9(19-2)6(8(12)13)7(5)11(14,15)16/h4,8H,3H2,1-2H3
InChIKeyCNWGSAVMPIESSQ-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.22
Rot. Bonds4

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

ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 133098576) has the molecular formula C11H10F5NO3 and a molecular weight of 299.20 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID133098576
Molecular FormulaC11H10F5NO3
Molecular Weight299.20 g/mol
Exact Mass299.06
IUPAC Nameethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC)c(C(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F5NO3/c1-3-20-10(18)5-4-17-9(19-2)6(8(12)13)7(5)11(14,15)16/h4,8H,3H2,1-2H3
InChIKeyCNWGSAVMPIESSQ-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

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Related Compounds

ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
CID 133099296
ethyl 5-chloro-3-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134674440
ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134675024
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
ethyl 3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133098582
methyl 5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133100970
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 3-(difluoromethyl)-6-iodo-2-methoxypyridine-4-carboxylate
CID 133102155
ethyl 5-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665016

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate (CID 133098576) is ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cnc(OC)c(C(F)F)c1C(F)(F)F.
What is the InChIKey of ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is CNWGSAVMPIESSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO3/c1-3-20-10(18)5-4-17-9(19-2)6(8(12)13)7(5)11(14,15)16/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 5-(difluoromethyl)-6-methoxy-4-(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 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 133098576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).