7-aminochromeno[2,3-b]pyridin-5-one

C12H8N2O2 — CID 659426

IUPAC7-aminochromeno[2,3-b]pyridin-5-one
SMILESNc1ccc2oc3ncccc3c(=O)c2c1
InChIInChI=1S/C12H8N2O2/c13-7-3-4-10-9(6-7)11(15)8-2-1-5-14-12(8)16-10/h1-6H,13H2
InChIKeyFQCQTEUUNFORPP-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.92
Rot. Bonds

About 7-aminochromeno[2,3-b]pyridin-5-one

7-aminochromeno[2,3-b]pyridin-5-one (PubChem CID 659426) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 7-aminochromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-aminochromeno[2,3-b]pyridin-5-one
PubChem CID659426
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name7-aminochromeno[2,3-b]pyridin-5-one
SMILESNc1ccc2oc3ncccc3c(=O)c2c1
InChIInChI=1S/C12H8N2O2/c13-7-3-4-10-9(6-7)11(15)8-2-1-5-14-12(8)16-10/h1-6H,13H2
InChIKeyFQCQTEUUNFORPP-UHFFFAOYSA-N
XLogP1.92
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-aminochromeno[2,3-b]pyridin-5-one?
The IUPAC name of 7-aminochromeno[2,3-b]pyridin-5-one (CID 659426) is 7-aminochromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 7-aminochromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 7-aminochromeno[2,3-b]pyridin-5-one is Nc1ccc2oc3ncccc3c(=O)c2c1.
What is the InChIKey of 7-aminochromeno[2,3-b]pyridin-5-one?
The InChIKey is FQCQTEUUNFORPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-7-3-4-10-9(6-7)11(15)8-2-1-5-14-12(8)16-10/h1-6H,13H2.
What are the key properties of 7-aminochromeno[2,3-b]pyridin-5-one?
7-aminochromeno[2,3-b]pyridin-5-one has a molecular weight of 212.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminochromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 659426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).