[2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate

C19H11NO5 — CID 1178958

IUPAC[2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate
SMILESO=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1cccnc1
InChIInChI=1S/C19H11NO5/c21-16-13-6-1-2-7-14(13)24-17(15-8-4-10-23-15)18(16)25-19(22)12-5-3-9-20-11-12/h1-11H
InChIKeyJFTJURXXWDEBAZ-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.67
Rot. Bonds3

About [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate

[2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate (PubChem CID 1178958) has the molecular formula C19H11NO5 and a molecular weight of 333.30 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate
PubChem CID1178958
Molecular FormulaC19H11NO5
Molecular Weight333.30 g/mol
Exact Mass333.06
IUPAC Name[2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate
SMILESO=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1cccnc1
InChIInChI=1S/C19H11NO5/c21-16-13-6-1-2-7-14(13)24-17(15-8-4-10-23-15)18(16)25-19(22)12-5-3-9-20-11-12/h1-11H
InChIKeyJFTJURXXWDEBAZ-UHFFFAOYSA-N
XLogP3.67
TPSA82.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate?
The IUPAC name of [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate (CID 1178958) is [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate?
The canonical SMILES for [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate is O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1cccnc1.
What is the InChIKey of [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate?
The InChIKey is JFTJURXXWDEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO5/c21-16-13-6-1-2-7-14(13)24-17(15-8-4-10-23-15)18(16)25-19(22)12-5-3-9-20-11-12/h1-11H.
What are the key properties of [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate?
[2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate has a molecular weight of 333.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-oxochromen-3-yl] pyridine-3-carboxylate is sourced from PubChem (CID 1178958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).