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

C130H70Cl2F9N7O18 — CID 159113631

IUPAC7-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
SMILESO=c1c(-c2ccccn2)coc2ccc3c(Cl)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3c(F)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(Cl)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(F)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3ccc(F)cc3c12.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/2C20H10F3NO4.2C18H10ClNO2.3C18H10FNO2/c21-20(22,23)12-2-1-7-24-17(12)11-8-26-13-5-3-10-4-6-14-19(28-9-27-14)15(10)16(13)18(11)25;21-20(22,23)13-2-1-5-24-18(13)12-8-26-14-4-3-10-6-15-16(28-9-27-15)7-11(10)17(14)19(12)25;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15;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/h2*1-8H,9H2;5*1-10H
InChIKeyKEUOKUNWSLKKMR-UHFFFAOYSA-N
MW2259.91 g/mol
LogP31.28
Rot. Bonds7

About 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

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 (PubChem CID 159113631) has the molecular formula C130H70Cl2F9N7O18 and a molecular weight of 2259.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID159113631
Molecular FormulaC130H70Cl2F9N7O18
Molecular Weight2259.91 g/mol
Exact Mass2257.40
IUPAC Name7-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
SMILESO=c1c(-c2ccccn2)coc2ccc3c(Cl)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3c(F)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(Cl)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(F)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3ccc(F)cc3c12.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCO4
InChIInChI=1S/2C20H10F3NO4.2C18H10ClNO2.3C18H10FNO2/c21-20(22,23)12-2-1-7-24-17(12)11-8-26-13-5-3-10-4-6-14-19(28-9-27-14)15(10)16(13)18(11)25;21-20(22,23)13-2-1-5-24-18(13)12-8-26-14-4-3-10-6-15-16(28-9-27-15)7-11(10)17(14)19(12)25;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15;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/h2*1-8H,9H2;5*1-10H
InChIKeyKEUOKUNWSLKKMR-UHFFFAOYSA-N
XLogP31.28
TPSA338.62 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds7
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002259.91
LogP ≤ 531.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c(-c2ccccn2)coc2ccc3c(Cl)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3c(F)cccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(Cl)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3cc(F)ccc3c12.O=c1c(-c2ccccn2)coc2ccc3ccc(F)cc3c12.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3cc4c(cc3c12)OCO4.O=c1c(-c2ncccc2C(F)(F)F)coc2ccc3ccc4c(c3c12)OCO4.
What is the InChIKey of 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?
The InChIKey is KEUOKUNWSLKKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H10F3NO4.2C18H10ClNO2.3C18H10FNO2/c21-20(22,23)12-2-1-7-24-17(12)11-8-26-13-5-3-10-4-6-14-19(28-9-27-14)15(10)16(13)18(11)25;21-20(22,23)13-2-1-5-24-18(13)12-8-26-14-4-3-10-6-15-16(28-9-27-15)7-11(10)17(14)19(12)25;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15;19-14-5-3-4-12-11(14)7-8-16-17(12)18(21)13(10-22-16)15-6-1-2-9-20-15;19-12-5-6-13-11(9-12)4-7-16-17(13)18(21)14(10-22-16)15-3-1-2-8-20-15;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/h2*1-8H,9H2;5*1-10H.
What are the key properties of 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?
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 has a molecular weight of 2259.91 g/mol, XLogP of 31.28, 7 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159113631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).