isochromeno[4,3-b]pyridin-6-one

C12H7NO2 — CID 11229366

IUPACisochromeno[4,3-b]pyridin-6-one
SMILESO=c1oc2cccnc2c2ccccc12
InChIInChI=1S/C12H7NO2/c14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11/h1-7H
InChIKeyYYKWDXBOVPPGAN-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.34
Rot. Bonds

About isochromeno[4,3-b]pyridin-6-one

isochromeno[4,3-b]pyridin-6-one (PubChem CID 11229366) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is isochromeno[4,3-b]pyridin-6-one.

Molecular Properties

Compound Nameisochromeno[4,3-b]pyridin-6-one
PubChem CID11229366
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Nameisochromeno[4,3-b]pyridin-6-one
SMILESO=c1oc2cccnc2c2ccccc12
InChIInChI=1S/C12H7NO2/c14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11/h1-7H
InChIKeyYYKWDXBOVPPGAN-UHFFFAOYSA-N
XLogP2.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of isochromeno[4,3-b]pyridin-6-one?
The IUPAC name of isochromeno[4,3-b]pyridin-6-one (CID 11229366) is isochromeno[4,3-b]pyridin-6-one.
What is the SMILES notation for isochromeno[4,3-b]pyridin-6-one?
The canonical SMILES for isochromeno[4,3-b]pyridin-6-one is O=c1oc2cccnc2c2ccccc12.
What is the InChIKey of isochromeno[4,3-b]pyridin-6-one?
The InChIKey is YYKWDXBOVPPGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-12-9-5-2-1-4-8(9)11-10(15-12)6-3-7-13-11/h1-7H.
What are the key properties of isochromeno[4,3-b]pyridin-6-one?
isochromeno[4,3-b]pyridin-6-one has a molecular weight of 197.19 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isochromeno[4,3-b]pyridin-6-one is sourced from PubChem (CID 11229366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).