4-amino-6-methyl-5-nitropyridine-2-carbonitrile

C7H6N4O2 — CID 164544737

IUPAC4-amino-6-methyl-5-nitropyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O2/c1-4-7(11(12)13)6(9)2-5(3-8)10-4/h2H,1H3,(H2,9,10)
InChIKeyADDRVLQMOYWGOA-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.75
Rot. Bonds1

About 4-amino-6-methyl-5-nitropyridine-2-carbonitrile

4-amino-6-methyl-5-nitropyridine-2-carbonitrile (PubChem CID 164544737) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-amino-6-methyl-5-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-5-nitropyridine-2-carbonitrile
PubChem CID164544737
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name4-amino-6-methyl-5-nitropyridine-2-carbonitrile
SMILESCc1nc(C#N)cc(N)c1[N+](=O)[O-]
InChIInChI=1S/C7H6N4O2/c1-4-7(11(12)13)6(9)2-5(3-8)10-4/h2H,1H3,(H2,9,10)
InChIKeyADDRVLQMOYWGOA-UHFFFAOYSA-N
XLogP0.75
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.75
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

6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
CID 54420031
6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide
CID 134675468
2,6-dimethyl-5-nitropyridine-3,4-diamine
CID 18715461
2-hydrazinyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 91622973
4-amino-5,6-difluoropyridine-2-carbonitrile
CID 70497940
5-amino-4-nitropyridine-3-carbonitrile
CID 19034852
4-methyl-6-(4-nitrophenyl)pyridine-2-carbonitrile
CID 20537539
2,6-dimethyl-4-methylsulfanyl-3-nitropyridine
CID 10512161
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
CID 2726058
1,4,6-trimethyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 5299649
4-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-2-nitrobenzonitrile
CID 22102954
3-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)benzonitrile
CID 114044451

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-5-nitropyridine-2-carbonitrile?
The IUPAC name of 4-amino-6-methyl-5-nitropyridine-2-carbonitrile (CID 164544737) is 4-amino-6-methyl-5-nitropyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-5-nitropyridine-2-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-5-nitropyridine-2-carbonitrile is Cc1nc(C#N)cc(N)c1[N+](=O)[O-].
What is the InChIKey of 4-amino-6-methyl-5-nitropyridine-2-carbonitrile?
The InChIKey is ADDRVLQMOYWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-4-7(11(12)13)6(9)2-5(3-8)10-4/h2H,1H3,(H2,9,10).
What are the key properties of 4-amino-6-methyl-5-nitropyridine-2-carbonitrile?
4-amino-6-methyl-5-nitropyridine-2-carbonitrile has a molecular weight of 178.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-5-nitropyridine-2-carbonitrile is sourced from PubChem (CID 164544737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).