5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

C16H14N2O3 — CID 2393667

IUPAC5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)n1cc(C(=O)c2ccccc2O)cc(C#N)c1=O
InChIInChI=1S/C16H14N2O3/c1-10(2)18-9-12(7-11(8-17)16(18)21)15(20)13-5-3-4-6-14(13)19/h3-7,9-10,19H,1-2H3
InChIKeyHTVZJBMWJMMRJK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.24
Rot. Bonds3

About 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (PubChem CID 2393667) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
PubChem CID2393667
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)n1cc(C(=O)c2ccccc2O)cc(C#N)c1=O
InChIInChI=1S/C16H14N2O3/c1-10(2)18-9-12(7-11(8-17)16(18)21)15(20)13-5-3-4-6-14(13)19/h3-7,9-10,19H,1-2H3
InChIKeyHTVZJBMWJMMRJK-UHFFFAOYSA-N
XLogP2.24
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (CID 2393667) is 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is CC(C)n1cc(C(=O)c2ccccc2O)cc(C#N)c1=O.
What is the InChIKey of 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is HTVZJBMWJMMRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(2)18-9-12(7-11(8-17)16(18)21)15(20)13-5-3-4-6-14(13)19/h3-7,9-10,19H,1-2H3.
What are the key properties of 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 2393667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).