2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate

C154H94F4N8O26 — CID 162161562

IUPAC2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.COC(=O)c1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc3c(cn2)OCCO3)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12
InChIInChI=1S/5C20H13NO4.C18H9F2NO2.2C18H10FNO2/c22-20-14(15-9-17-18(10-21-15)24-8-7-23-17)11-25-16-6-5-12-3-1-2-4-13(12)19(16)20;1-12(22)25-14-7-8-17(21-10-14)16-11-24-18-9-6-13-4-2-3-5-15(13)19(18)20(16)23;1-24-20(23)13-6-8-16(21-10-13)15-11-25-17-9-7-12-4-2-3-5-14(12)18(17)19(15)22;1-24-20(23)13-8-9-21-16(10-13)15-11-25-17-7-6-12-4-2-3-5-14(12)18(17)19(15)22;1-12(22)25-14-8-9-21-17(10-14)16-11-24-18-7-6-13-4-2-3-5-15(13)19(18)20(16)23;19-13-7-15(21-8-14(13)20)12-9-23-16-6-5-10-3-1-2-4-11(10)17(16)18(12)22;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21/h1-6,9-11H,7-8H2;4*2-11H,1H3;1-9H;2*1-10H
InChIKeyZMNYIPVVEKOTAC-UHFFFAOYSA-N
MW2548.47 g/mol
LogP31.82
Rot. Bonds12

About 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate

2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate (PubChem CID 162161562) has the molecular formula C154H94F4N8O26 and a molecular weight of 2548.47 g/mol. Its IUPAC name is 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate.

Molecular Properties

Compound Name2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate
PubChem CID162161562
Molecular FormulaC154H94F4N8O26
Molecular Weight2548.47 g/mol
Exact Mass2546.62
IUPAC Name2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate
SMILESCC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.COC(=O)c1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc3c(cn2)OCCO3)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12
InChIInChI=1S/5C20H13NO4.C18H9F2NO2.2C18H10FNO2/c22-20-14(15-9-17-18(10-21-15)24-8-7-23-17)11-25-16-6-5-12-3-1-2-4-13(12)19(16)20;1-12(22)25-14-7-8-17(21-10-14)16-11-24-18-9-6-13-4-2-3-5-15(13)19(18)20(16)23;1-24-20(23)13-6-8-16(21-10-13)15-11-25-17-9-7-12-4-2-3-5-14(12)18(17)19(15)22;1-24-20(23)13-8-9-21-16(10-13)15-11-25-17-7-6-12-4-2-3-5-14(12)18(17)19(15)22;1-12(22)25-14-8-9-21-17(10-14)16-11-24-18-7-6-13-4-2-3-5-15(13)19(18)20(16)23;19-13-7-15(21-8-14(13)20)12-9-23-16-6-5-10-3-1-2-4-11(10)17(16)18(12)22;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21/h1-6,9-11H,7-8H2;4*2-11H,1H3;1-9H;2*1-10H
InChIKeyZMNYIPVVEKOTAC-UHFFFAOYSA-N
XLogP31.82
TPSA468.46 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds12
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002548.47
LogP ≤ 531.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate with MolForge

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 157098435
1-[2-[(Dimethylamino)methyl]phenyl]-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-methoxy-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 157178907
1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 157321344
1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione
CID 157514372
Ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methylphenyl)methoxy]quinoline-3-carboxylate
CID 157983811
1-[2-[(Dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 158051304
2-(3-Chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-4-yl)benzo[f]chromen-1-one;2-(3-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one;2-(3-methoxy-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate;2-[3-(trifluoromethoxy)-2-pyridinyl]benzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one
CID 158253571
Ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,5-difluorophenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]quinoline-3-carboxylate;ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate;ethyl 7-[(3,4,5-trifluorophenyl)methoxy]quinoline-3-carboxylate
CID 158407849
1-[2-[(Dimethylamino)methyl]phenyl]-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 158500634
2-(3-Chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(3-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(3-hydroxy-2-pyridinyl)benzo[f]chromen-1-one;2-(3-methoxy-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate;2-[3-(trifluoromethoxy)-2-pyridinyl]benzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one
CID 158531106
2-(3-Hydroxy-2-pyridinyl)benzo[f]chromen-1-one;2-(3-methoxy-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate;2-[3-(trifluoromethoxy)-2-pyridinyl]benzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one
CID 158997300
9,10-Dimethoxy-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;7,8-dimethyl-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;9-methoxy-8-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]benzo[f]chromen-1-one;8-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,7-f]chromen-9-one;2-[3-(trifluoromethyl)-2-pyridinyl]-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;9-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[5,6-h][1,4]benzodioxin-10-one;11-[3-(trifluoromethyl)-2-pyridinyl]-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
CID 160196049

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
The IUPAC name of 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate (CID 162161562) is 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate.
What is the SMILES notation for 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
The canonical SMILES for 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate is CC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.COC(=O)c1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc3c(cn2)OCCO3)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12.
What is the InChIKey of 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
The InChIKey is ZMNYIPVVEKOTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/5C20H13NO4.C18H9F2NO2.2C18H10FNO2/c22-20-14(15-9-17-18(10-21-15)24-8-7-23-17)11-25-16-6-5-12-3-1-2-4-13(12)19(16)20;1-12(22)25-14-7-8-17(21-10-14)16-11-24-18-9-6-13-4-2-3-5-15(13)19(18)20(16)23;1-24-20(23)13-6-8-16(21-10-13)15-11-25-17-9-7-12-4-2-3-5-14(12)18(17)19(15)22;1-24-20(23)13-8-9-21-16(10-13)15-11-25-17-7-6-12-4-2-3-5-14(12)18(17)19(15)22;1-12(22)25-14-8-9-21-17(10-14)16-11-24-18-7-6-13-4-2-3-5-15(13)19(18)20(16)23;19-13-7-15(21-8-14(13)20)12-9-23-16-6-5-10-3-1-2-4-11(10)17(16)18(12)22;19-12-6-7-15(20-9-12)14-10-22-16-8-5-11-3-1-2-4-13(11)17(16)18(14)21;19-12-7-8-20-15(9-12)14-10-22-16-6-5-11-3-1-2-4-13(11)17(16)18(14)21/h1-6,9-11H,7-8H2;4*2-11H,1H3;1-9H;2*1-10H.
What are the key properties of 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate?
2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate has a molecular weight of 2548.47 g/mol, XLogP of 31.82, 12 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4-fluoro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-fluoro-2-pyridinyl)benzo[f]chromen-1-one;methyl 2-(1-oxobenzo[f]chromen-2-yl)pyridine-4-carboxylate;methyl 6-(1-oxobenzo[f]chromen-2-yl)pyridine-3-carboxylate;[2-(1-oxobenzo[f]chromen-2-yl)-4-pyridinyl] acetate;[6-(1-oxobenzo[f]chromen-2-yl)-3-pyridinyl] acetate is sourced from PubChem (CID 162161562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).