3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one

C19H17NO5 — CID 170983729

IUPAC3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one
SMILESCC1(C)Oc2c(c(O)cc3occ(-c4ccncc4)c(=O)c23)CC1O
InChIInChI=1S/C19H17NO5/c1-19(2)15(22)7-11-13(21)8-14-16(18(11)25-19)17(23)12(9-24-14)10-3-5-20-6-4-10/h3-6,8-9,15,21-22H,7H2,1-2H3
InChIKeyAVXYXCILYVJXTH-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.63
Rot. Bonds1

About 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one

3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one (PubChem CID 170983729) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one.

Molecular Properties

Compound Name3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one
PubChem CID170983729
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one
SMILESCC1(C)Oc2c(c(O)cc3occ(-c4ccncc4)c(=O)c23)CC1O
InChIInChI=1S/C19H17NO5/c1-19(2)15(22)7-11-13(21)8-14-16(18(11)25-19)17(23)12(9-24-14)10-3-5-20-6-4-10/h3-6,8-9,15,21-22H,7H2,1-2H3
InChIKeyAVXYXCILYVJXTH-UHFFFAOYSA-N
XLogP2.63
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The IUPAC name of 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one (CID 170983729) is 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one.
What is the SMILES notation for 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The canonical SMILES for 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one is CC1(C)Oc2c(c(O)cc3occ(-c4ccncc4)c(=O)c23)CC1O.
What is the InChIKey of 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one?
The InChIKey is AVXYXCILYVJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-19(2)15(22)7-11-13(21)8-14-16(18(11)25-19)17(23)12(9-24-14)10-3-5-20-6-4-10/h3-6,8-9,15,21-22H,7H2,1-2H3.
What are the key properties of 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one?
3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one has a molecular weight of 339.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2,2-dimethyl-9-pyridin-4-yl-3,4-dihydropyrano[2,3-f]chromen-10-one is sourced from PubChem (CID 170983729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).