ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate

C17H12F3NO3 — CID 2332063

IUPACethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2o1
InChIInChI=1S/C17H12F3NO3/c1-2-23-16(22)14-8-11-12(17(18,19)20)9-13(21-15(11)24-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyVXUKSSUTHOSXEP-UHFFFAOYSA-N
MW335.28 g/mol
LogP4.69
Rot. Bonds3

About ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate

ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate (PubChem CID 2332063) has the molecular formula C17H12F3NO3 and a molecular weight of 335.28 g/mol. Its IUPAC name is ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
PubChem CID2332063
Molecular FormulaC17H12F3NO3
Molecular Weight335.28 g/mol
Exact Mass335.08
IUPAC Nameethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2o1
InChIInChI=1S/C17H12F3NO3/c1-2-23-16(22)14-8-11-12(17(18,19)20)9-13(21-15(11)24-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyVXUKSSUTHOSXEP-UHFFFAOYSA-N
XLogP4.69
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate (CID 2332063) is ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2o1.
What is the InChIKey of ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
The InChIKey is VXUKSSUTHOSXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3/c1-2-23-16(22)14-8-11-12(17(18,19)20)9-13(21-15(11)24-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate?
ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate has a molecular weight of 335.28 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2332063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).