2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one

C20H14N2O2 — CID 154716614

IUPAC2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one
SMILESO=c1c(Cc2cccnc2)c(-c2cccnc2)oc2ccccc12
InChIInChI=1S/C20H14N2O2/c23-19-16-7-1-2-8-18(16)24-20(15-6-4-10-22-13-15)17(19)11-14-5-3-9-21-12-14/h1-10,12-13H,11H2
InChIKeyLFGUKMSVMVLCHU-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.84
Rot. Bonds3

About 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one

2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one (PubChem CID 154716614) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one
PubChem CID154716614
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one
SMILESO=c1c(Cc2cccnc2)c(-c2cccnc2)oc2ccccc12
InChIInChI=1S/C20H14N2O2/c23-19-16-7-1-2-8-18(16)24-20(15-6-4-10-22-13-15)17(19)11-14-5-3-9-21-12-14/h1-10,12-13H,11H2
InChIKeyLFGUKMSVMVLCHU-UHFFFAOYSA-N
XLogP3.84
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one?
The IUPAC name of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one (CID 154716614) is 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one.
What is the SMILES notation for 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one?
The canonical SMILES for 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one is O=c1c(Cc2cccnc2)c(-c2cccnc2)oc2ccccc12.
What is the InChIKey of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one?
The InChIKey is LFGUKMSVMVLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19-16-7-1-2-8-18(16)24-20(15-6-4-10-22-13-15)17(19)11-14-5-3-9-21-12-14/h1-10,12-13H,11H2.
What are the key properties of 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one?
2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one has a molecular weight of 314.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3-(pyridin-3-ylmethyl)chromen-4-one is sourced from PubChem (CID 154716614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).