3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C23H14ClNO5 — CID 110207908

IUPAC3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2cccnc2)c2c(cc(O)c3c(=O)c(-c4ccc(Cl)cc4)coc23)O1
InChIInChI=1S/C23H14ClNO5/c24-14-5-3-12(4-6-14)16-11-29-23-20-15(13-2-1-7-25-10-13)8-19(27)30-18(20)9-17(26)21(23)22(16)28/h1-7,9-11,15,26H,8H2
InChIKeyVVWFFNXZRDYJPX-UHFFFAOYSA-N
MW419.82 g/mol
LogP4.66
Rot. Bonds2

About 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 110207908) has the molecular formula C23H14ClNO5 and a molecular weight of 419.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID110207908
Molecular FormulaC23H14ClNO5
Molecular Weight419.82 g/mol
Exact Mass419.06
IUPAC Name3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2cccnc2)c2c(cc(O)c3c(=O)c(-c4ccc(Cl)cc4)coc23)O1
InChIInChI=1S/C23H14ClNO5/c24-14-5-3-12(4-6-14)16-11-29-23-20-15(13-2-1-7-25-10-13)8-19(27)30-18(20)9-17(26)21(23)22(16)28/h1-7,9-11,15,26H,8H2
InChIKeyVVWFFNXZRDYJPX-UHFFFAOYSA-N
XLogP4.66
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 110207908) is 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1CC(c2cccnc2)c2c(cc(O)c3c(=O)c(-c4ccc(Cl)cc4)coc23)O1.
What is the InChIKey of 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is VVWFFNXZRDYJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO5/c24-14-5-3-12(4-6-14)16-11-29-23-20-15(13-2-1-7-25-10-13)8-19(27)30-18(20)9-17(26)21(23)22(16)28/h1-7,9-11,15,26H,8H2.
What are the key properties of 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 419.82 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-hydroxy-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 110207908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).