6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile

C10H10N2O3 — CID 70495107

IUPAC6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)CO
InChIInChI=1S/C10H10N2O3/c1-2-8-7(9(14)5-13)3-6(4-11)10(15)12-8/h3,13H,2,5H2,1H3,(H,12,15)
InChIKeyVZHKQVPHJVJCFN-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.02
Rot. Bonds3

About 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile

6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70495107) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70495107
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)CO
InChIInChI=1S/C10H10N2O3/c1-2-8-7(9(14)5-13)3-6(4-11)10(15)12-8/h3,13H,2,5H2,1H3,(H,12,15)
InChIKeyVZHKQVPHJVJCFN-UHFFFAOYSA-N
XLogP-0.02
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 70495107) is 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile is CCc1[nH]c(=O)c(C#N)cc1C(=O)CO.
What is the InChIKey of 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VZHKQVPHJVJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-8-7(9(14)5-13)3-6(4-11)10(15)12-8/h3,13H,2,5H2,1H3,(H,12,15).
What are the key properties of 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70495107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).