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

C11H10F5NO4 — CID 134668484

IUPACethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C11H10F5NO4/c1-3-20-10(18)7-5(19-2)4-6(21-11(14,15)16)17-8(7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyVEGXULRRTSUGRA-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.10
Rot. Bonds5

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

ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134668484) has the molecular formula C11H10F5NO4 and a molecular weight of 315.19 g/mol. Its IUPAC name is ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134668484
Molecular FormulaC11H10F5NO4
Molecular Weight315.19 g/mol
Exact Mass315.05
IUPAC Nameethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C11H10F5NO4/c1-3-20-10(18)7-5(19-2)4-6(21-11(14,15)16)17-8(7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyVEGXULRRTSUGRA-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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Related Compounds

ethyl 6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683031
2-(difluoromethyl)-4,6-dimethoxypyridine-3-carboxamide
CID 118809246
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118848960
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
ethyl 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
ethyl 4-methoxy-6-propan-2-yloxy-2-(trifluoromethyl)pyridine-3-carboxylate
CID 15063039
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 134668484) is ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1c(OC)cc(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is VEGXULRRTSUGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO4/c1-3-20-10(18)7-5(19-2)4-6(21-11(14,15)16)17-8(7)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 2-(difluoromethyl)-4-methoxy-6-(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 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134668484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).