ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate

C11H9F6NO3 — CID 10064764

IUPACethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(OC)nc1C(F)(F)F
InChIInChI=1S/C11H9F6NO3/c1-3-21-9(19)7-5(10(12,13)14)4-6(20-2)18-8(7)11(15,16)17/h4H,3H2,1-2H3
InChIKeyCZMBNSDLPVSBII-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.30
Rot. Bonds3

About ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 10064764) has the molecular formula C11H9F6NO3 and a molecular weight of 317.19 g/mol. Its IUPAC name is ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
PubChem CID10064764
Molecular FormulaC11H9F6NO3
Molecular Weight317.19 g/mol
Exact Mass317.05
IUPAC Nameethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(OC)nc1C(F)(F)F
InChIInChI=1S/C11H9F6NO3/c1-3-21-9(19)7-5(10(12,13)14)4-6(20-2)18-8(7)11(15,16)17/h4H,3H2,1-2H3
InChIKeyCZMBNSDLPVSBII-UHFFFAOYSA-N
XLogP3.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate (CID 10064764) is ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)cc(OC)nc1C(F)(F)F.
What is the InChIKey of ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is CZMBNSDLPVSBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO3/c1-3-21-9(19)7-5(10(12,13)14)4-6(20-2)18-8(7)11(15,16)17/h4H,3H2,1-2H3.
What are the key properties of ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 317.19 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-2,4-bis(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 10064764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).