2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

C13H7N3O2 — CID 616970

IUPAC2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)c3ccccc3oc2nc1N
InChIInChI=1S/C13H7N3O2/c14-6-7-5-9-11(17)8-3-1-2-4-10(8)18-13(9)16-12(7)15/h1-5H,(H2,15,16)
InChIKeyOITYIVNLFRQWRA-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.80
Rot. Bonds

About 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 616970) has the molecular formula C13H7N3O2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID616970
Molecular FormulaC13H7N3O2
Molecular Weight237.22 g/mol
Exact Mass237.05
IUPAC Name2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(=O)c3ccccc3oc2nc1N
InChIInChI=1S/C13H7N3O2/c14-6-7-5-9-11(17)8-3-1-2-4-10(8)18-13(9)16-12(7)15/h1-5H,(H2,15,16)
InChIKeyOITYIVNLFRQWRA-UHFFFAOYSA-N
XLogP1.80
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (CID 616970) is 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1cc2c(=O)c3ccccc3oc2nc1N.
What is the InChIKey of 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is OITYIVNLFRQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O2/c14-6-7-5-9-11(17)8-3-1-2-4-10(8)18-13(9)16-12(7)15/h1-5H,(H2,15,16).
What are the key properties of 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 237.22 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 616970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).