6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine

C6H7N3O3 — CID 53485456

IUPAC6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine
SMILESCc1cc([N+](=O)[O-])c(N)c[n+]1[O-]
InChIInChI=1S/C6H7N3O3/c1-4-2-6(9(11)12)5(7)3-8(4)10/h2-3H,7H2,1H3
InChIKeyHIZWAAGHRQXVLV-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.12
Rot. Bonds1

About 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine

6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine (PubChem CID 53485456) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine.

Molecular Properties

Compound Name6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine
PubChem CID53485456
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine
SMILESCc1cc([N+](=O)[O-])c(N)c[n+]1[O-]
InChIInChI=1S/C6H7N3O3/c1-4-2-6(9(11)12)5(7)3-8(4)10/h2-3H,7H2,1H3
InChIKeyHIZWAAGHRQXVLV-UHFFFAOYSA-N
XLogP0.12
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-1-methoxy-4-nitropyridin-1-ium-3-amine
CID 168882407
4-methyl-3,5-dinitroaniline
CID 29574
2,4-dimethoxy-3-methyl-5-nitroaniline
CID 974774
4-methylsulfonyl-2,6-dinitroaniline
CID 3715196
5-amino-2,4-dinitrobenzenethiol
CID 88541379
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
2-amino-5-methyl-4-nitrobenzaldehyde
CID 20585942
2-amino-5-methyl-4-nitrophenol
CID 12781867
4-nitro-2,5-di(propan-2-yl)aniline
CID 21491970
5-methylsulfonylbenzene-1,2,3-triamine;4-methylsulfonyl-2,6-dinitroaniline;5-methylsulfonyl-3-nitrobenzene-1,2-diamine
CID 161403923
4-(2,6-dimethylphenoxy)-2-nitroaniline
CID 58017485
2,4-dinitroaniline;sulfuric acid
CID 174852217

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine?
The IUPAC name of 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine (CID 53485456) is 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine.
What is the SMILES notation for 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine?
The canonical SMILES for 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine is Cc1cc([N+](=O)[O-])c(N)c[n+]1[O-].
What is the InChIKey of 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine?
The InChIKey is HIZWAAGHRQXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-4-2-6(9(11)12)5(7)3-8(4)10/h2-3H,7H2,1H3.
What are the key properties of 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine?
6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine has a molecular weight of 169.14 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-nitro-1-oxidopyridin-1-ium-3-amine is sourced from PubChem (CID 53485456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).