2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile

C8H9N5O2 — CID 91622973

IUPAC2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
SMILESCc1nc(NN)c(C#N)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H9N5O2/c1-4-6(3-9)8(12-10)11-5(2)7(4)13(14)15/h10H2,1-2H3,(H,11,12)
InChIKeyFTTGREZOEGPOJB-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.76
Rot. Bonds2

About 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile

2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile (PubChem CID 91622973) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
PubChem CID91622973
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
SMILESCc1nc(NN)c(C#N)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H9N5O2/c1-4-6(3-9)8(12-10)11-5(2)7(4)13(14)15/h10H2,1-2H3,(H,11,12)
InChIKeyFTTGREZOEGPOJB-UHFFFAOYSA-N
XLogP0.76
TPSA117.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
CID 2726058
6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
CID 54420031
2-(4-bromophenyl)sulfanyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 2726172
(6-fluoro-4,5-dimethyl-3-nitro-2-pyridinyl)hydrazine
CID 20792101
4,6-dimethyl-2-(methylamino)-5-nitropyridin-1-ium-3-carbonitrile
CID 7219368
4-amino-6-methyl-5-nitropyridine-2-carbonitrile
CID 164544737
1,4,6-trimethyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 5299649
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
4-anilino-2,6-dimethyl-3-nitrobenzonitrile
CID 173209985
3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 114044975
2,6-dimethyl-5-nitropyridine-3,4-diamine
CID 18715461
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile (CID 91622973) is 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile is Cc1nc(NN)c(C#N)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile?
The InChIKey is FTTGREZOEGPOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-4-6(3-9)8(12-10)11-5(2)7(4)13(14)15/h10H2,1-2H3,(H,11,12).
What are the key properties of 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile?
2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile has a molecular weight of 207.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 91622973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).