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

C8H8N4O2 — CID 54420031

IUPAC6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
SMILESCc1nc(N)c([N+](=O)[O-])c(C)c1C#N
InChIInChI=1S/C8H8N4O2/c1-4-6(3-9)5(2)11-8(10)7(4)12(13)14/h1-2H3,(H2,10,11)
InChIKeyWADHDVRUUWZAIG-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.06
Rot. Bonds1

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

6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile (PubChem CID 54420031) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
PubChem CID54420031
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
SMILESCc1nc(N)c([N+](=O)[O-])c(C)c1C#N
InChIInChI=1S/C8H8N4O2/c1-4-6(3-9)5(2)11-8(10)7(4)12(13)14/h1-2H3,(H2,10,11)
InChIKeyWADHDVRUUWZAIG-UHFFFAOYSA-N
XLogP1.06
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.06
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
4,6-dimethyl-2-(methylamino)-5-nitropyridine-3-carbonitrile
CID 2726058
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
1,4,6-trimethyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 5299649
4-amino-6-methyl-5-nitropyridine-2-carbonitrile
CID 164544737
2-(4-bromophenyl)sulfanyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile
CID 2726172
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
2-amino-4-methyl-5-nitrothiophene-3-carbonitrile
CID 71365576
2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
CID 81061226
methyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)pyridine-3-carboxylate
CID 42598064

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile (CID 54420031) is 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile is Cc1nc(N)c([N+](=O)[O-])c(C)c1C#N.
What is the InChIKey of 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile?
The InChIKey is WADHDVRUUWZAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-6(3-9)5(2)11-8(10)7(4)12(13)14/h1-2H3,(H2,10,11).
What are the key properties of 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile?
6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile has a molecular weight of 192.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 54420031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).