2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

C14H8N2O — CID 902286

IUPAC2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(cc1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C14H8N2O/c1-8-9(7-15)6-12-13(16-8)10-4-2-3-5-11(10)14(12)17/h2-6H,1H3
InChIKeyVNUHTNOZVNGJIU-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.47
Rot. Bonds

About 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile

2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 902286) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID902286
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(cc1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C14H8N2O/c1-8-9(7-15)6-12-13(16-8)10-4-2-3-5-11(10)14(12)17/h2-6H,1H3
InChIKeyVNUHTNOZVNGJIU-UHFFFAOYSA-N
XLogP2.47
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile (CID 902286) is 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is Cc1nc2c(cc1C#N)C(=O)c1ccccc1-2.
What is the InChIKey of 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is VNUHTNOZVNGJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c1-8-9(7-15)6-12-13(16-8)10-4-2-3-5-11(10)14(12)17/h2-6H,1H3.
What are the key properties of 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile?
2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxoindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 902286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).