2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one

C188H110Cl2F4N10O30 — CID 159223833

IUPAC2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one
SMILESCC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.O=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/3C20H13NO4.2C19H11NO4.2C18H10ClNO2.C18H9F2NO2.2C18H10FNO2/c1-12(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;1-12(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;21-18-12(13-3-1-2-8-20-13)9-22-14-6-4-11-5-7-15-19(24-10-23-15)16(11)17(14)18;21-19-13(14-3-1-2-6-20-14)9-22-15-5-4-11-7-16-17(24-10-23-16)8-12(11)18(15)19;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;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/h3*2-11H,1H3;2*1-9H,10H2;2*1-10H;1-9H;2*1-10H
InChIKeyKSALOHVNZSLBHT-UHFFFAOYSA-N
MW3135.89 g/mol
LogP41.04
Rot. Bonds13

About 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one

2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one (PubChem CID 159223833) has the molecular formula C188H110Cl2F4N10O30 and a molecular weight of 3135.89 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one.

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one
PubChem CID159223833
Molecular FormulaC188H110Cl2F4N10O30
Molecular Weight3135.89 g/mol
Exact Mass3132.67
IUPAC Name2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one
SMILESCC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.O=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/3C20H13NO4.2C19H11NO4.2C18H10ClNO2.C18H9F2NO2.2C18H10FNO2/c1-12(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;1-12(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;21-18-12(13-3-1-2-8-20-13)9-22-14-6-4-11-5-7-15-19(24-10-23-15)16(11)17(14)18;21-19-13(14-3-1-2-6-20-14)9-22-15-5-4-11-7-16-17(24-10-23-16)8-12(11)18(15)19;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;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/h3*2-11H,1H3;2*1-9H,10H2;2*1-10H;1-9H;2*1-10H
InChIKeyKSALOHVNZSLBHT-UHFFFAOYSA-N
XLogP41.04
TPSA546.82 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds13
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003135.89
LogP ≤ 541.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(1,3-Benzodioxol-5-yl)-4-(3-chloro-2-pyridinyl)butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[3-[(dimethylamino)methyl]-2-pyridinyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-ethylphenyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 158312003
1-(3-Chloro-2-pyridinyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(2-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-chloro-2-pyridinyl)-4-(3-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-[2-[(dimethylamino)methyl]phenyl]-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(2-ethylphenyl)-4-(2,2,3,3-tetrafluoro-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-(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 158330545
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
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
7-Chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;9-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one
CID 159113631
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
7-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;9-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-(3,4-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;7-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;9-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;3-hydroxy-2-(1-oxobenzo[f]chromen-2-yl)-1H-pyridin-4-one;2-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-[3-(trifluoromethyl)-2-pyridinyl]-[1,3]benzodioxolo[7,6-f]chromen-11-one
CID 160933346
7-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;8-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;9-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl)benzo[f]chromen-1-one;2-(3,4-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-4-yl)benzo[f]chromen-1-one;9-fluoro-2-pyridin-2-ylbenzo[f]chromen-1-one;3-hydroxy-2-(1-oxobenzo[f]chromen-2-yl)-1H-pyridin-4-one
CID 157581386
2-(3-chloro-2-pyridinyl)benzo[f]chromen-1-one;9-chloro-2-pyridin-2-ylbenzo[f]chromen-1-one;2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl)benzo[f]chromen-1-one;2-(3,4-dimethoxy-2-pyridinyl)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;3-hydroxy-2-(1-oxobenzo[f]chromen-2-yl)-1H-pyridin-4-one
CID 159077859
2-(4-Chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;8-pyridin-2-yl-[1,3]benzodioxolo[6,7-f]chromen-9-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one;2-pyridin-2-yl-9,10-dihydrochromeno[6,5-g][1,4]benzodioxin-1-one;11-pyridin-2-yl-2,3-dihydrochromeno[6,5-h][1,4]benzodioxin-12-one
CID 159244772
2-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)benzo[f]chromen-1-one;2-(4,5-dimethoxy-2-pyridinyl)benzo[f]chromen-1-one;2-([1,3]dioxolo[4,5-c]pyridin-6-yl)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
CID 159316077

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one?
The IUPAC name of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one (CID 159223833) is 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one.
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one is CC(=O)Oc1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.CC(=O)Oc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1.COC(=O)c1ccc(-c2coc3ccc4ccccc4c3c2=O)nc1.O=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)c(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2cc(F)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(F)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCO4.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one?
The InChIKey is KSALOHVNZSLBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H13NO4.2C19H11NO4.2C18H10ClNO2.C18H9F2NO2.2C18H10FNO2/c1-12(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;1-12(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;21-18-12(13-3-1-2-8-20-13)9-22-14-6-4-11-5-7-15-19(24-10-23-15)16(11)17(14)18;21-19-13(14-3-1-2-6-20-14)9-22-15-5-4-11-7-16-17(24-10-23-16)8-12(11)18(15)19;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;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/h3*2-11H,1H3;2*1-9H,10H2;2*1-10H;1-9H;2*1-10H.
What are the key properties of 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one?
2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one has a molecular weight of 3135.89 g/mol, XLogP of 41.04, 13 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(5-chloro-2-pyridinyl)benzo[f]chromen-1-one;2-(4,5-difluoro-2-pyridinyl)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 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-pyridin-2-yl-[1,3]benzodioxolo[6,5-f]chromen-1-one;10-pyridin-2-yl-[1,3]benzodioxolo[7,6-f]chromen-11-one is sourced from PubChem (CID 159223833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).