5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C10H10N2O3 — CID 70495759

IUPAC5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)C(C)O
InChIInChI=1S/C10H10N2O3/c1-5-8(9(14)6(2)13)3-7(4-11)10(15)12-5/h3,6,13H,1-2H3,(H,12,15)
InChIKeyUOEKVDHSUAQAJS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.12
Rot. Bonds2

About 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70495759) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70495759
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)C(C)O
InChIInChI=1S/C10H10N2O3/c1-5-8(9(14)6(2)13)3-7(4-11)10(15)12-5/h3,6,13H,1-2H3,(H,12,15)
InChIKeyUOEKVDHSUAQAJS-UHFFFAOYSA-N
XLogP0.12
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70495759) is 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1C(=O)C(C)O.
What is the InChIKey of 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is UOEKVDHSUAQAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5-8(9(14)6(2)13)3-7(4-11)10(15)12-5/h3,6,13H,1-2H3,(H,12,15).
What are the key properties of 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropanoyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70495759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).