[6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate

C20H12N2O4 — CID 140506828

IUPAC[6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(-c2coc3ccccc3c2=O)nc1)c1cccnc1
InChIInChI=1S/C20H12N2O4/c23-19-15-5-1-2-6-18(15)25-12-16(19)17-8-7-14(11-22-17)26-20(24)13-4-3-9-21-10-13/h1-12H
InChIKeyAXKYZVQDMWIDLJ-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.47
Rot. Bonds3

About [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate

[6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate (PubChem CID 140506828) has the molecular formula C20H12N2O4 and a molecular weight of 344.33 g/mol. Its IUPAC name is [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate
PubChem CID140506828
Molecular FormulaC20H12N2O4
Molecular Weight344.33 g/mol
Exact Mass344.08
IUPAC Name[6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(-c2coc3ccccc3c2=O)nc1)c1cccnc1
InChIInChI=1S/C20H12N2O4/c23-19-15-5-1-2-6-18(15)25-12-16(19)17-8-7-14(11-22-17)26-20(24)13-4-3-9-21-10-13/h1-12H
InChIKeyAXKYZVQDMWIDLJ-UHFFFAOYSA-N
XLogP3.47
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate?
The IUPAC name of [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate (CID 140506828) is [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate.
What is the SMILES notation for [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate?
The canonical SMILES for [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate is O=C(Oc1ccc(-c2coc3ccccc3c2=O)nc1)c1cccnc1.
What is the InChIKey of [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate?
The InChIKey is AXKYZVQDMWIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4/c23-19-15-5-1-2-6-18(15)25-12-16(19)17-8-7-14(11-22-17)26-20(24)13-4-3-9-21-10-13/h1-12H.
What are the key properties of [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate?
[6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate has a molecular weight of 344.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-oxochromen-3-yl)-3-pyridinyl] pyridine-3-carboxylate is sourced from PubChem (CID 140506828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).