2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile

C9H10N2O — CID 45123380

IUPAC2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile
SMILESCc1[nH]c(=O)c(C)c(C#N)c1C
InChIInChI=1S/C9H10N2O/c1-5-7(3)11-9(12)6(2)8(5)4-10/h1-3H3,(H,11,12)
InChIKeyPDEPTQSAVLVUSK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.17
Rot. Bonds

About 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile

2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 45123380) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID45123380
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile
SMILESCc1[nH]c(=O)c(C)c(C#N)c1C
InChIInChI=1S/C9H10N2O/c1-5-7(3)11-9(12)6(2)8(5)4-10/h1-3H3,(H,11,12)
InChIKeyPDEPTQSAVLVUSK-UHFFFAOYSA-N
XLogP1.17
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile (CID 45123380) is 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile is Cc1[nH]c(=O)c(C)c(C#N)c1C.
What is the InChIKey of 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is PDEPTQSAVLVUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-7(3)11-9(12)6(2)8(5)4-10/h1-3H3,(H,11,12).
What are the key properties of 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile?
2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 45123380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).