2-oxidochromeno[2,3-c]pyridin-2-ium-5-one

C12H7NO3 — CID 14044069

IUPAC2-oxidochromeno[2,3-c]pyridin-2-ium-5-one
SMILESO=c1c2ccccc2oc2c[n+]([O-])ccc12
InChIInChI=1S/C12H7NO3/c14-12-8-3-1-2-4-10(8)16-11-7-13(15)6-5-9(11)12/h1-7H
InChIKeyYZIDDLWJBJZBOA-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.58
Rot. Bonds

About 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one

2-oxidochromeno[2,3-c]pyridin-2-ium-5-one (PubChem CID 14044069) has the molecular formula C12H7NO3 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one.

Molecular Properties

Compound Name2-oxidochromeno[2,3-c]pyridin-2-ium-5-one
PubChem CID14044069
Molecular FormulaC12H7NO3
Molecular Weight213.19 g/mol
Exact Mass213.04
IUPAC Name2-oxidochromeno[2,3-c]pyridin-2-ium-5-one
SMILESO=c1c2ccccc2oc2c[n+]([O-])ccc12
InChIInChI=1S/C12H7NO3/c14-12-8-3-1-2-4-10(8)16-11-7-13(15)6-5-9(11)12/h1-7H
InChIKeyYZIDDLWJBJZBOA-UHFFFAOYSA-N
XLogP1.58
TPSA57.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one?
The IUPAC name of 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one (CID 14044069) is 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one.
What is the SMILES notation for 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one?
The canonical SMILES for 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one is O=c1c2ccccc2oc2c[n+]([O-])ccc12.
What is the InChIKey of 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one?
The InChIKey is YZIDDLWJBJZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3/c14-12-8-3-1-2-4-10(8)16-11-7-13(15)6-5-9(11)12/h1-7H.
What are the key properties of 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one?
2-oxidochromeno[2,3-c]pyridin-2-ium-5-one has a molecular weight of 213.19 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxidochromeno[2,3-c]pyridin-2-ium-5-one is sourced from PubChem (CID 14044069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).