2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile

C9H10N2O2 — CID 20574790

IUPAC2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)ccc1=O
InChIInChI=1S/C9H10N2O2/c1-2-5-11-8(12)4-3-7(6-10)9(11)13/h3-4,13H,2,5H2,1H3
InChIKeyOCESDEGXNWMQJC-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.84
Rot. Bonds2

About 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile

2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 20574790) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile
PubChem CID20574790
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)ccc1=O
InChIInChI=1S/C9H10N2O2/c1-2-5-11-8(12)4-3-7(6-10)9(11)13/h3-4,13H,2,5H2,1H3
InChIKeyOCESDEGXNWMQJC-UHFFFAOYSA-N
XLogP0.84
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile (CID 20574790) is 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C#N)ccc1=O.
What is the InChIKey of 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is OCESDEGXNWMQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-5-11-8(12)4-3-7(6-10)9(11)13/h3-4,13H,2,5H2,1H3.
What are the key properties of 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile?
2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 20574790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).