3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile

C13H10N2O2 — CID 80523816

IUPAC3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
SMILESCc1ccoc1C(=O)C(C#N)c1cccnc1
InChIInChI=1S/C13H10N2O2/c1-9-4-6-17-13(9)12(16)11(7-14)10-3-2-5-15-8-10/h2-6,8,11H,1H3
InChIKeyDYXOXXHYIJPHBH-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.47
Rot. Bonds3

About 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile

3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile (PubChem CID 80523816) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
PubChem CID80523816
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
SMILESCc1ccoc1C(=O)C(C#N)c1cccnc1
InChIInChI=1S/C13H10N2O2/c1-9-4-6-17-13(9)12(16)11(7-14)10-3-2-5-15-8-10/h2-6,8,11H,1H3
InChIKeyDYXOXXHYIJPHBH-UHFFFAOYSA-N
XLogP2.47
TPSA66.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 81477793
3-(4-bromo-2-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523673
3-(3-bromo-4-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 81472043
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
3-oxo-2-pyridin-3-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 80523694
3-(5-methyl-2-nitrophenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80521399
4,4-dimethyl-3-oxo-2-pyridin-3-ylhexanenitrile
CID 80523756
2-(1-methylbenzimidazol-2-yl)-3-(3-methylfuran-2-yl)-3-oxopropanenitrile
CID 78869257
3-(1,3-benzodioxol-5-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523896
3-(5-bromothiophen-3-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 107962546
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523719
3-(2,3-dihydro-1H-inden-5-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523817

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The IUPAC name of 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile (CID 80523816) is 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The canonical SMILES for 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile is Cc1ccoc1C(=O)C(C#N)c1cccnc1.
What is the InChIKey of 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The InChIKey is DYXOXXHYIJPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-9-4-6-17-13(9)12(16)11(7-14)10-3-2-5-15-8-10/h2-6,8,11H,1H3.
What are the key properties of 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile?
3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile has a molecular weight of 226.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 80523816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).