3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one

C20H12FNO2 — CID 56594665

IUPAC3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccncc2)oc2ccccc12
InChIInChI=1S/C20H12FNO2/c21-15-7-5-13(6-8-15)18-19(23)16-3-1-2-4-17(16)24-20(18)14-9-11-22-12-10-14/h1-12H
InChIKeyBFFCICPAPKEAMR-UHFFFAOYSA-N
MW317.32 g/mol
LogP4.66
Rot. Bonds2

About 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one

3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one (PubChem CID 56594665) has the molecular formula C20H12FNO2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one
PubChem CID56594665
Molecular FormulaC20H12FNO2
Molecular Weight317.32 g/mol
Exact Mass317.09
IUPAC Name3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccncc2)oc2ccccc12
InChIInChI=1S/C20H12FNO2/c21-15-7-5-13(6-8-15)18-19(23)16-3-1-2-4-17(16)24-20(18)14-9-11-22-12-10-14/h1-12H
InChIKeyBFFCICPAPKEAMR-UHFFFAOYSA-N
XLogP4.66
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one (CID 56594665) is 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one is O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)oc2ccccc12.
What is the InChIKey of 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one?
The InChIKey is BFFCICPAPKEAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FNO2/c21-15-7-5-13(6-8-15)18-19(23)16-3-1-2-4-17(16)24-20(18)14-9-11-22-12-10-14/h1-12H.
What are the key properties of 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one?
3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one has a molecular weight of 317.32 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-pyridin-4-ylchromen-4-one is sourced from PubChem (CID 56594665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).