ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate

C16H12BrFN2O3 — CID 59704598

IUPACethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C16H12BrFN2O3/c1-2-22-16(21)15-14(10-8-19-6-5-13(10)23-15)20-12-4-3-9(17)7-11(12)18/h3-8,20H,2H2,1H3
InChIKeyUOBYLXVZHBYICT-UHFFFAOYSA-N
MW379.19 g/mol
LogP4.65
Rot. Bonds4

About ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate

ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 59704598) has the molecular formula C16H12BrFN2O3 and a molecular weight of 379.19 g/mol. Its IUPAC name is ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate
PubChem CID59704598
Molecular FormulaC16H12BrFN2O3
Molecular Weight379.19 g/mol
Exact Mass378.00
IUPAC Nameethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1oc2ccncc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C16H12BrFN2O3/c1-2-22-16(21)15-14(10-8-19-6-5-13(10)23-15)20-12-4-3-9(17)7-11(12)18/h3-8,20H,2H2,1H3
InChIKeyUOBYLXVZHBYICT-UHFFFAOYSA-N
XLogP4.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate (CID 59704598) is ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate is CCOC(=O)c1oc2ccncc2c1Nc1ccc(Br)cc1F.
What is the InChIKey of ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is UOBYLXVZHBYICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN2O3/c1-2-22-16(21)15-14(10-8-19-6-5-13(10)23-15)20-12-4-3-9(17)7-11(12)18/h3-8,20H,2H2,1H3.
What are the key properties of ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate?
ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 379.19 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromo-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 59704598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).