6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile

C16H10N2O3 — CID 64594177

IUPAC6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
SMILESCc1cc(=O)oc2cc(Oc3cccc(C#N)n3)ccc12
InChIInChI=1S/C16H10N2O3/c1-10-7-16(19)21-14-8-12(5-6-13(10)14)20-15-4-2-3-11(9-17)18-15/h2-8H,1H3
InChIKeyGVXROVHRARMBHU-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.16
Rot. Bonds2

About 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile

6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile (PubChem CID 64594177) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
PubChem CID64594177
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile
SMILESCc1cc(=O)oc2cc(Oc3cccc(C#N)n3)ccc12
InChIInChI=1S/C16H10N2O3/c1-10-7-16(19)21-14-8-12(5-6-13(10)14)20-15-4-2-3-11(9-17)18-15/h2-8H,1H3
InChIKeyGVXROVHRARMBHU-UHFFFAOYSA-N
XLogP3.16
TPSA76.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(6-bromo-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 63963411
6-(4-methyl-2-oxochromen-7-yl)oxy-3-nitropyridine-2-carbonitrile
CID 133499979
7-(6-amino-2-methylpyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 80866814
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile
CID 7967887
4-methyl-7-[6-(methylamino)pyrazin-2-yl]oxychromen-2-one
CID 80866622
7-[(3-amino-2-pyridinyl)oxy]-4-methylchromen-2-one
CID 16782298
5-(4-methyl-2-oxochromen-7-yl)oxypentanenitrile
CID 60673473
(4-methyl-2-oxochromen-7-yl) 4-cyanobenzoate
CID 2683918
bis(4-methyl-2-oxochromen-7-yl) sulfate
CID 15217418
7-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]-4-methylchromen-2-one
CID 60727066
7-[(2-chloro-5-methyl-4-pyridinyl)oxy]-4-methylchromen-2-one
CID 83269220
7-(5-bromopyrimidin-4-yl)oxy-4-methylchromen-2-one
CID 66317999

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile?
The IUPAC name of 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile (CID 64594177) is 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile?
The canonical SMILES for 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile is Cc1cc(=O)oc2cc(Oc3cccc(C#N)n3)ccc12.
What is the InChIKey of 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile?
The InChIKey is GVXROVHRARMBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c1-10-7-16(19)21-14-8-12(5-6-13(10)14)20-15-4-2-3-11(9-17)18-15/h2-8H,1H3.
What are the key properties of 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile?
6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-oxochromen-7-yl)oxypyridine-2-carbonitrile is sourced from PubChem (CID 64594177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).