2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile

C10H12N2O2 — CID 704165

IUPAC2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H12N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h5,14H,3-4H2,1-2H3
InChIKeyLPOHMYSTVUMOPY-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.14
Rot. Bonds2

About 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile

2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (PubChem CID 704165) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
PubChem CID704165
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
SMILESCCCn1c(O)c(C#N)c(C)cc1=O
InChIInChI=1S/C10H12N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h5,14H,3-4H2,1-2H3
InChIKeyLPOHMYSTVUMOPY-UHFFFAOYSA-N
XLogP1.14
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile (CID 704165) is 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is CCCn1c(O)c(C#N)c(C)cc1=O.
What is the InChIKey of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
The InChIKey is LPOHMYSTVUMOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-4-12-9(13)5-7(2)8(6-11)10(12)14/h5,14H,3-4H2,1-2H3.
What are the key properties of 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile?
2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile is sourced from PubChem (CID 704165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).