4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one

C14H11FN2O2 — CID 175996521

IUPAC4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESCOc1cc(-c2cccc3c2CNC3=O)c(F)cn1
InChIInChI=1S/C14H11FN2O2/c1-19-13-5-10(12(15)7-16-13)8-3-2-4-9-11(8)6-17-14(9)18/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyFKMLCZZJKYMYNL-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.14
Rot. Bonds2

About 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one

4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one (PubChem CID 175996521) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one
PubChem CID175996521
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one
SMILESCOc1cc(-c2cccc3c2CNC3=O)c(F)cn1
InChIInChI=1S/C14H11FN2O2/c1-19-13-5-10(12(15)7-16-13)8-3-2-4-9-11(8)6-17-14(9)18/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyFKMLCZZJKYMYNL-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one (CID 175996521) is 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one is COc1cc(-c2cccc3c2CNC3=O)c(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one?
The InChIKey is FKMLCZZJKYMYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-19-13-5-10(12(15)7-16-13)8-3-2-4-9-11(8)6-17-14(9)18/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one?
4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one has a molecular weight of 258.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175996521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).