ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate

C19H15FN2O2 — CID 46317978

IUPACethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
SMILESCCOC(=O)c1c(-c2ccncc2)ccc(-c2ccncc2)c1F
InChIInChI=1S/C19H15FN2O2/c1-2-24-19(23)17-15(13-5-9-21-10-6-13)3-4-16(18(17)20)14-7-11-22-12-8-14/h3-12H,2H2,1H3
InChIKeyVLBGKVMODTZQMC-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.13
Rot. Bonds4

About ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate

ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate (PubChem CID 46317978) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
PubChem CID46317978
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Nameethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
SMILESCCOC(=O)c1c(-c2ccncc2)ccc(-c2ccncc2)c1F
InChIInChI=1S/C19H15FN2O2/c1-2-24-19(23)17-15(13-5-9-21-10-6-13)3-4-16(18(17)20)14-7-11-22-12-8-14/h3-12H,2H2,1H3
InChIKeyVLBGKVMODTZQMC-UHFFFAOYSA-N
XLogP4.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate?
The IUPAC name of ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate (CID 46317978) is ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate.
What is the SMILES notation for ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate?
The canonical SMILES for ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate is CCOC(=O)c1c(-c2ccncc2)ccc(-c2ccncc2)c1F.
What is the InChIKey of ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate?
The InChIKey is VLBGKVMODTZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-2-24-19(23)17-15(13-5-9-21-10-6-13)3-4-16(18(17)20)14-7-11-22-12-8-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate?
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate has a molecular weight of 322.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate is sourced from PubChem (CID 46317978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).