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

C131H80Cl2FN7O22 — CID 159077859

About 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

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 (PubChem CID 159077859) has the molecular formula C131H80Cl2FN7O22 and a molecular weight of 2194.01 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159077859
• Molecular Formula: C131H80Cl2FN7O22
• Molecular Weight: 2194.01 g/mol
• Exact Mass: 2191.47
• IUPAC Name: 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
• SMILES: COc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1OC.O=c1c(-c2ccccn2)coc2ccc3ccc(Cl)cc3c12.O=c1c(-c2nccc3c2OCCO3)coc2ccc3ccccc3c12.O=c1c(-c2nccc3c2OCO3)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2Cl)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2F)coc2ccc3ccccc3c12.O=c1cc[nH]c(-c2coc3ccc4ccccc4c3c2=O)c1O
• InChI: InChI=1S/C20H13NO4.C20H15NO4.C19H11NO4.2C18H10ClNO2.C18H10FNO2.C18H11NO4/c22-19-14(18-20-16(7-8-21-18)23-9-10-24-20)11-25-15-6-5-12-3-1-2-4-13(12)17(15)19;1-23-16-9-10-21-18(20(16)24-2)14-11-25-15-8-7-12-5-3-4-6-13(12)17(15)19(14)22;21-18-13(17-19-15(7-8-20-17)23-10-24-19)9-22-14-6-5-11-3-1-2-4-12(11)16(14)18;19-14-6-3-9-20-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21;19-12-6-4-11-5-7-16-17(13(11)9-12)18(21)14(10-22-16)15-3-1-2-8-20-15;19-14-6-3-9-20-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21;20-13-7-8-19-16(18(13)22)12-9-23-14-6-5-10-3-1-2-4-11(10)15(14)17(12)21/h1-8,11H,9-10H2;3-11H,1-2H3;1-9H,10H2;3*1-10H;1-9,22H,(H,19,20)
• InChIKey: KALYBMHZSMQLHN-UHFFFAOYSA-N
• XLogP: 28.02
• TPSA: 397.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 9
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.01
LogP ≤ 5	28.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccnc(-c2coc3ccc4ccccc4c3c2=O)c1OC.O=c1c(-c2ccccn2)coc2ccc3ccc(Cl)cc3c12.O=c1c(-c2nccc3c2OCCO3)coc2ccc3ccccc3c12.O=c1c(-c2nccc3c2OCO3)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2Cl)coc2ccc3ccccc3c12.O=c1c(-c2ncccc2F)coc2ccc3ccccc3c12.O=c1cc[nH]c(-c2coc3ccc4ccccc4c3c2=O)c1O.

What is the InChIKey of 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?

The InChIKey is KALYBMHZSMQLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4.C20H15NO4.C19H11NO4.2C18H10ClNO2.C18H10FNO2.C18H11NO4/c22-19-14(18-20-16(7-8-21-18)23-9-10-24-20)11-25-15-6-5-12-3-1-2-4-13(12)17(15)19;1-23-16-9-10-21-18(20(16)24-2)14-11-25-15-8-7-12-5-3-4-6-13(12)17(15)19(14)22;21-18-13(17-19-15(7-8-20-17)23-10-24-19)9-22-14-6-5-11-3-1-2-4-12(11)16(14)18;19-14-6-3-9-20-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21;19-12-6-4-11-5-7-16-17(13(11)9-12)18(21)14(10-22-16)15-3-1-2-8-20-15;19-14-6-3-9-20-17(14)13-10-22-15-8-7-11-4-1-2-5-12(11)16(15)18(13)21;20-13-7-8-19-16(18(13)22)12-9-23-14-6-5-10-3-1-2-4-11(10)15(14)17(12)21/h1-8,11H,9-10H2;3-11H,1-2H3;1-9H,10H2;3*1-10H;1-9,22H,(H,19,20).

What are the key properties of 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?

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 has a molecular weight of 2194.01 g/mol, XLogP of 28.02, 9 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159077859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).