1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

C15H11N3O2 — CID 46900707

IUPAC1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILES[H]/N=c1\c(C#N)cc2c(=O)c3ccccc3oc2n1CC
InChIInChI=1S/C15H11N3O2/c1-2-18-14(17)9(8-16)7-11-13(19)10-5-3-4-6-12(10)20-15(11)18/h3-7,17H,2H2,1H3/b17-14+
InChIKeyYITIZRNJUKBQHY-SAPNQHFASA-N
MW265.27 g/mol
LogP2.12
Rot. Bonds1

About 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile

1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 46900707) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID46900707
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
SMILES[H]/N=c1\c(C#N)cc2c(=O)c3ccccc3oc2n1CC
InChIInChI=1S/C15H11N3O2/c1-2-18-14(17)9(8-16)7-11-13(19)10-5-3-4-6-12(10)20-15(11)18/h3-7,17H,2H2,1H3/b17-14+
InChIKeyYITIZRNJUKBQHY-SAPNQHFASA-N
XLogP2.12
TPSA82.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.12
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 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile (CID 46900707) is 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is [H]/N=c1\c(C#N)cc2c(=O)c3ccccc3oc2n1CC.
What is the InChIKey of 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is YITIZRNJUKBQHY-SAPNQHFASA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-18-14(17)9(8-16)7-11-13(19)10-5-3-4-6-12(10)20-15(11)18/h3-7,17H,2H2,1H3/b17-14+.
What are the key properties of 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile?
1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 265.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-imino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 46900707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).