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

C8H7N3O2 — CID 4689568

IUPAC4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1N=O
InChIInChI=1S/C8H7N3O2/c1-4-6(3-9)8(12)10-5(2)7(4)11-13/h1-2H3,(H,10,12)
InChIKeyNGYNFMVFZQSULY-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.26
Rot. Bonds1

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

4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 4689568) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID4689568
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1N=O
InChIInChI=1S/C8H7N3O2/c1-4-6(3-9)8(12)10-5(2)7(4)11-13/h1-2H3,(H,10,12)
InChIKeyNGYNFMVFZQSULY-UHFFFAOYSA-N
XLogP1.26
TPSA86.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile (CID 4689568) is 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1N=O.
What is the InChIKey of 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is NGYNFMVFZQSULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4-6(3-9)8(12)10-5(2)7(4)11-13/h1-2H3,(H,10,12).
What are the key properties of 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile?
4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 177.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-nitroso-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 4689568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).