4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile

C9H10N4O2 — CID 2726058

IUPAC4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
SMILESCNc1nc(C)c([N+](=O)[O-])c(C)c1C#N
InChIInChI=1S/C9H10N4O2/c1-5-7(4-10)9(11-3)12-6(2)8(5)13(14)15/h1-3H3,(H,11,12)
InChIKeyOSCPQIFJZOCJIM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.52
Rot. Bonds2

About 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile

4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 2726058) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
PubChem CID2726058
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
SMILESCNc1nc(C)c([N+](=O)[O-])c(C)c1C#N
InChIInChI=1S/C9H10N4O2/c1-5-7(4-10)9(11-3)12-6(2)8(5)13(14)15/h1-3H3,(H,11,12)
InChIKeyOSCPQIFJZOCJIM-UHFFFAOYSA-N
XLogP1.52
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 91622973
6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
CID 54420031
4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile
CID 7219368
2-(4-bromophenyl)sulfanyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 2726172
4-(dimethylamino)-6-(methylamino)-5-nitropyrimidine-2-carbonitrile
CID 44565865
4-amino-6-methyl-5-nitropyridine-2-carbonitrile
CID 164544737
2-(azepan-1-yl)-N,6-dimethyl-5-nitropyrimidin-4-amine
CID 131881447
1,4,6-trimethyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 5299649
2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile
CID 147347191
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
4,5-dichloro-3,6-dinitrobenzene-1,2-dicarbonitrile
CID 21466910

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile (CID 2726058) is 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile is CNc1nc(C)c([N+](=O)[O-])c(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is OSCPQIFJZOCJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-7(4-10)9(11-3)12-6(2)8(5)13(14)15/h1-3H3,(H,11,12).
What are the key properties of 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile?
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 206.20 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 2726058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).