ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate

C11H10F5NO4 — CID 134681690

IUPACethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(OC)nc1OC(F)(F)F
InChIInChI=1S/C11H10F5NO4/c1-3-20-10(18)6-4-5(7(12)13)8(19-2)17-9(6)21-11(14,15)16/h4,7H,3H2,1-2H3
InChIKeyVFNMDHQPJJHHHC-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.10
Rot. Bonds5

About ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134681690) has the molecular formula C11H10F5NO4 and a molecular weight of 315.19 g/mol. Its IUPAC name is ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134681690
Molecular FormulaC11H10F5NO4
Molecular Weight315.19 g/mol
Exact Mass315.05
IUPAC Nameethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(OC)nc1OC(F)(F)F
InChIInChI=1S/C11H10F5NO4/c1-3-20-10(18)6-4-5(7(12)13)8(19-2)17-9(6)21-11(14,15)16/h4,7H,3H2,1-2H3
InChIKeyVFNMDHQPJJHHHC-UHFFFAOYSA-N
XLogP3.10
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate (CID 134681690) is ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(C(F)F)c(OC)nc1OC(F)(F)F.
What is the InChIKey of ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is VFNMDHQPJJHHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO4/c1-3-20-10(18)6-4-5(7(12)13)8(19-2)17-9(6)21-11(14,15)16/h4,7H,3H2,1-2H3.
What are the key properties of ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 315.19 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134681690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).