ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate

C19H15FN2O2 — CID 46317979

IUPACethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
SMILESCCOC(=O)c1cc(-c2cccnc2)c(-c2cccnc2)cc1F
InChIInChI=1S/C19H15FN2O2/c1-2-24-19(23)17-9-15(13-5-3-7-21-11-13)16(10-18(17)20)14-6-4-8-22-12-14/h3-12H,2H2,1H3
InChIKeyDKLUSNWICNOCAK-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.13
Rot. Bonds4

About ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate

ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate (PubChem CID 46317979) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
PubChem CID46317979
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Nameethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
SMILESCCOC(=O)c1cc(-c2cccnc2)c(-c2cccnc2)cc1F
InChIInChI=1S/C19H15FN2O2/c1-2-24-19(23)17-9-15(13-5-3-7-21-11-13)16(10-18(17)20)14-6-4-8-22-12-14/h3-12H,2H2,1H3
InChIKeyDKLUSNWICNOCAK-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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Related Compounds

ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
ethyl 3-fluoro-5-pyridin-3-ylbenzoate
CID 46317693
ethyl 5-propan-2-yl-2-pyridin-3-ylfuran-3-carboxylate
CID 134976381
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
ethyl 3-pyridin-3-yl-5-(trifluoromethyl)benzoate
CID 46317775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate?
The IUPAC name of ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate (CID 46317979) is ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate.
What is the SMILES notation for ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate?
The canonical SMILES for ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate is CCOC(=O)c1cc(-c2cccnc2)c(-c2cccnc2)cc1F.
What is the InChIKey of ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate?
The InChIKey is DKLUSNWICNOCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-2-24-19(23)17-9-15(13-5-3-7-21-11-13)16(10-18(17)20)14-6-4-8-22-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate?
ethyl 2-fluoro-4,5-dipyridin-3-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-4,5-dipyridin-3-ylbenzoate is sourced from PubChem (CID 46317979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).