7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one

C138H74F17N7O24 — CID 159088818

IUPAC7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
SMILESO=c1c(-c2ccccn2)coc2ccc3c(F)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(F)ccc3c12.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/2C21H12F3NO4.3C20H10F3NO4.2C18H10FNO2/c22-21(23,24)13-2-1-7-25-18(13)12-10-29-14-5-3-11-4-6-15-20(28-9-8-27-15)16(11)17(14)19(12)26;22-21(23,24)14-2-1-5-25-19(14)13-10-29-15-4-3-11-8-16-17(28-7-6-27-16)9-12(11)18(15)20(13)26;21-20(22,23)13-2-1-7-24-17(13)12-8-26-14-5-4-11-10(16(14)18(12)25)3-6-15-19(11)28-9-27-15;21-20(22,23)12-2-1-7-24-17(12)11-8-26-13-5-3-10-4-6-14-19(28-9-27-14)15(10)16(13)18(11)25;21-20(22,23)13-2-1-5-24-18(13)12-8-26-14-4-3-10-6-15-16(28-9-27-15)7-11(10)17(14)19(12)25;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15/h1-7,10H,8-9H2;1-5,8-10H,6-7H2;3*1-8H,9H2;2*1-10H
InChIKeyKBUIBEXGZNUPCX-UHFFFAOYSA-N
MW2537.10 g/mol
LogP32.16
Rot. Bonds7

About 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one

7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one (PubChem CID 159088818) has the molecular formula C138H74F17N7O24 and a molecular weight of 2537.10 g/mol. Its IUPAC name is 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one.

Molecular Properties

Compound Name7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
PubChem CID159088818
Molecular FormulaC138H74F17N7O24
Molecular Weight2537.10 g/mol
Exact Mass2535.45
IUPAC Name7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
SMILESO=c1c(-c2ccccn2)coc2ccc3c(F)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(F)ccc3c12.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/2C21H12F3NO4.3C20H10F3NO4.2C18H10FNO2/c22-21(23,24)13-2-1-7-25-18(13)12-10-29-14-5-3-11-4-6-15-20(28-9-8-27-15)16(11)17(14)19(12)26;22-21(23,24)14-2-1-5-25-19(14)13-10-29-15-4-3-11-8-16-17(28-7-6-27-16)9-12(11)18(15)20(13)26;21-20(22,23)13-2-1-7-24-17(13)12-8-26-14-5-4-11-10(16(14)18(12)25)3-6-15-19(11)28-9-27-15;21-20(22,23)12-2-1-7-24-17(12)11-8-26-13-5-3-10-4-6-14-19(28-9-27-14)15(10)16(13)18(11)25;21-20(22,23)13-2-1-5-24-18(13)12-8-26-14-4-3-10-6-15-16(28-9-27-15)7-11(10)17(14)19(12)25;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15/h1-7,10H,8-9H2;1-5,8-10H,6-7H2;3*1-8H,9H2;2*1-10H
InChIKeyKBUIBEXGZNUPCX-UHFFFAOYSA-N
XLogP32.16
TPSA394.00 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds7
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002537.10
LogP ≤ 532.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
The IUPAC name of 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one (CID 159088818) is 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one.
What is the SMILES notation for 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
The canonical SMILES for 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one is O=c1c(-c2ccccn2)coc2ccc3c(F)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(F)ccc3c12.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCO4.
What is the InChIKey of 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
The InChIKey is KBUIBEXGZNUPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H12F3NO4.3C20H10F3NO4.2C18H10FNO2/c22-21(23,24)13-2-1-7-25-18(13)12-10-29-14-5-3-11-4-6-15-20(28-9-8-27-15)16(11)17(14)19(12)26;22-21(23,24)14-2-1-5-25-19(14)13-10-29-15-4-3-11-8-16-17(28-7-6-27-16)9-12(11)18(15)20(13)26;21-20(22,23)13-2-1-7-24-17(13)12-8-26-14-5-4-11-10(16(14)18(12)25)3-6-15-19(11)28-9-27-15;21-20(22,23)12-2-1-7-24-17(12)11-8-26-13-5-3-10-4-6-14-19(28-9-27-14)15(10)16(13)18(11)25;21-20(22,23)13-2-1-5-24-18(13)12-8-26-14-4-3-10-6-15-16(28-9-27-15)7-11(10)17(14)19(12)25;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15/h1-7,10H,8-9H2;1-5,8-10H,6-7H2;3*1-8H,9H2;2*1-10H.
What are the key properties of 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one?
7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one has a molecular weight of 2537.10 g/mol, XLogP of 32.16, 7 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one is sourced from PubChem (CID 159088818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).