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

C133H79Cl2N7O24 — CID 159244772

IUPAC2-(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
SMILESO=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/2C20H13NO4.3C19H11NO4.2C18H10ClNO2/c22-19-13(14-3-1-2-8-21-14)11-25-15-6-4-12-5-7-16-20(17(12)18(15)19)24-10-9-23-16;22-20-14(15-3-1-2-6-21-15)11-25-16-5-4-12-9-17-18(24-8-7-23-17)10-13(12)19(16)20;21-18-13(14-3-1-2-8-20-14)9-22-15-6-5-12-11(17(15)18)4-7-16-19(12)24-10-23-16;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/h1-8,11H,9-10H2;1-6,9-11H,7-8H2;3*1-9H,10H2;2*1-10H
InChIKeyKUNSTKAVBVRCPI-UHFFFAOYSA-N
MW2230.03 g/mol
LogP28.09
Rot. Bonds7

About 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

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 (PubChem CID 159244772) has the molecular formula C133H79Cl2N7O24 and a molecular weight of 2230.03 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-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.

Molecular Properties

Compound Name2-(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
PubChem CID159244772
Molecular FormulaC133H79Cl2N7O24
Molecular Weight2230.03 g/mol
Exact Mass2227.46
IUPAC Name2-(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
SMILESO=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/2C20H13NO4.3C19H11NO4.2C18H10ClNO2/c22-19-13(14-3-1-2-8-21-14)11-25-15-6-4-12-5-7-16-20(17(12)18(15)19)24-10-9-23-16;22-20-14(15-3-1-2-6-21-15)11-25-16-5-4-12-9-17-18(24-8-7-23-17)10-13(12)19(16)20;21-18-13(14-3-1-2-8-20-14)9-22-15-6-5-12-11(17(15)18)4-7-16-19(12)24-10-23-16;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/h1-8,11H,9-10H2;1-6,9-11H,7-8H2;3*1-9H,10H2;2*1-10H
InChIKeyKUNSTKAVBVRCPI-UHFFFAOYSA-N
XLogP28.09
TPSA394.00 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds7
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002230.03
LogP ≤ 528.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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-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 with MolForge

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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-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?
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-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) is 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.
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-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?
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-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 is O=c1c(-c2cc(Cl)ccn2)coc2ccc3ccccc3c12.O=c1c(-c2ccc(Cl)cn2)coc2ccc3ccccc3c12.O=c1c(-c2ccccn2)coc2ccc3c4c(ccc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCCO4.O=c1c(-c2ccccn2)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ccccn2)coc2ccc3ccc4c(c3c12)OCCO4.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-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?
The InChIKey is KUNSTKAVBVRCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13NO4.3C19H11NO4.2C18H10ClNO2/c22-19-13(14-3-1-2-8-21-14)11-25-15-6-4-12-5-7-16-20(17(12)18(15)19)24-10-9-23-16;22-20-14(15-3-1-2-6-21-15)11-25-16-5-4-12-9-17-18(24-8-7-23-17)10-13(12)19(16)20;21-18-13(14-3-1-2-8-20-14)9-22-15-6-5-12-11(17(15)18)4-7-16-19(12)24-10-23-16;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/h1-8,11H,9-10H2;1-6,9-11H,7-8H2;3*1-9H,10H2;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-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?
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 has a molecular weight of 2230.03 g/mol, XLogP of 28.09, 7 rotatable bonds, 0 hydrogen bond donors, and 31 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-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 is sourced from PubChem (CID 159244772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).