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

C115H70F6N6O19 — CID 158997300

IUPAC2-(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
SMILESCC(=O)Oc1cccnc1-c1coc2ccc3ccccc3c2c1=O.COC(=O)c1cccnc1-c1coc2ccc3ccccc3c2c1=O.COc1cccnc1-c1coc2ccc3ccccc3c2c1=O.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2O)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2OC(F)(F)F)coc2ccc3ccccc3c12
InChIInChI=1S/2C20H13NO4.C19H10F3NO3.C19H10F3NO2.C19H13NO3.C18H11NO3/c1-24-20(23)14-7-4-10-21-18(14)15-11-25-16-9-8-12-5-2-3-6-13(12)17(16)19(15)22;1-12(22)25-17-7-4-10-21-19(17)15-11-24-16-9-8-13-5-2-3-6-14(13)18(16)20(15)23;20-19(21,22)26-15-6-3-9-23-17(15)13-10-25-14-8-7-11-4-1-2-5-12(11)16(14)18(13)24;20-19(21,22)14-6-3-9-23-17(14)13-10-25-15-8-7-11-4-1-2-5-12(11)16(15)18(13)24;1-22-16-7-4-10-20-18(16)14-11-23-15-9-8-12-5-2-3-6-13(12)17(15)19(14)21;20-14-6-3-9-19-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21/h2*2-11H,1H3;1-10H;1-10H;2-11H,1H3;1-10,20H
InChIKeyJQWWHULYXGDFOZ-UHFFFAOYSA-N
MW1953.84 g/mol
LogP25.39
Rot. Bonds10

About 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

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 (PubChem CID 158997300) has the molecular formula C115H70F6N6O19 and a molecular weight of 1953.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158997300
Molecular FormulaC115H70F6N6O19
Molecular Weight1953.84 g/mol
Exact Mass1952.46
IUPAC Name2-(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
SMILESCC(=O)Oc1cccnc1-c1coc2ccc3ccccc3c2c1=O.COC(=O)c1cccnc1-c1coc2ccc3ccccc3c2c1=O.COc1cccnc1-c1coc2ccc3ccccc3c2c1=O.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2O)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2OC(F)(F)F)coc2ccc3ccccc3c12
InChIInChI=1S/2C20H13NO4.C19H10F3NO3.C19H10F3NO2.C19H13NO3.C18H11NO3/c1-24-20(23)14-7-4-10-21-18(14)15-11-25-16-9-8-12-5-2-3-6-13(12)17(16)19(15)22;1-12(22)25-17-7-4-10-21-19(17)15-11-24-16-9-8-13-5-2-3-6-14(13)18(16)20(15)23;20-19(21,22)26-15-6-3-9-23-17(15)13-10-25-14-8-7-11-4-1-2-5-12(11)16(14)18(13)24;20-19(21,22)14-6-3-9-23-17(14)13-10-25-15-8-7-11-4-1-2-5-12(11)16(15)18(13)24;1-22-16-7-4-10-20-18(16)14-11-23-15-9-8-12-5-2-3-6-13(12)17(15)19(14)21;20-14-6-3-9-19-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21/h2*2-11H,1H3;1-10H;1-10H;2-11H,1H3;1-10,20H
InChIKeyJQWWHULYXGDFOZ-UHFFFAOYSA-N
XLogP25.39
TPSA349.89 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.84
LogP ≤ 525.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Oc1cccnc1-c1coc2ccc3ccccc3c2c1=O.COC(=O)c1cccnc1-c1coc2ccc3ccccc3c2c1=O.COc1cccnc1-c1coc2ccc3ccccc3c2c1=O.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2O)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2OC(F)(F)F)coc2ccc3ccccc3c12.
What is the InChIKey of 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?
The InChIKey is JQWWHULYXGDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13NO4.C19H10F3NO3.C19H10F3NO2.C19H13NO3.C18H11NO3/c1-24-20(23)14-7-4-10-21-18(14)15-11-25-16-9-8-12-5-2-3-6-13(12)17(16)19(15)22;1-12(22)25-17-7-4-10-21-19(17)15-11-24-16-9-8-13-5-2-3-6-14(13)18(16)20(15)23;20-19(21,22)26-15-6-3-9-23-17(15)13-10-25-14-8-7-11-4-1-2-5-12(11)16(14)18(13)24;20-19(21,22)14-6-3-9-23-17(14)13-10-25-15-8-7-11-4-1-2-5-12(11)16(15)18(13)24;1-22-16-7-4-10-20-18(16)14-11-23-15-9-8-12-5-2-3-6-13(12)17(15)19(14)21;20-14-6-3-9-19-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21/h2*2-11H,1H3;1-10H;1-10H;2-11H,1H3;1-10,20H.
What are the key properties of 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?
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 has a molecular weight of 1953.84 g/mol, XLogP of 25.39, 10 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158997300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).