2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid

C12H9N5O6 — CID 119091498

IUPAC2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid
SMILESNN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ncccc1C(=O)O
InChIInChI=1S/C12H9N5O6/c13-15(11-8(12(18)19)2-1-5-14-11)9-4-3-7(16(20)21)6-10(9)17(22)23/h1-6H,13H2,(H,18,19)
InChIKeyPSNHLMYEXUQCFF-UHFFFAOYSA-N
MW319.23 g/mol
LogP1.61
Rot. Bonds5

About 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid

2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid (PubChem CID 119091498) has the molecular formula C12H9N5O6 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid
PubChem CID119091498
Molecular FormulaC12H9N5O6
Molecular Weight319.23 g/mol
Exact Mass319.06
IUPAC Name2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid
SMILESNN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ncccc1C(=O)O
InChIInChI=1S/C12H9N5O6/c13-15(11-8(12(18)19)2-1-5-14-11)9-4-3-7(16(20)21)6-10(9)17(22)23/h1-6H,13H2,(H,18,19)
InChIKeyPSNHLMYEXUQCFF-UHFFFAOYSA-N
XLogP1.61
TPSA165.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid 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

(2,4-dinitrophenyl)-methylcarbamic acid
CID 163792600
2-[methyl-(2-nitrophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738958
N',N'-bis(2,4-dinitrophenyl)oxamide
CID 53437177
bis(2-nitrobenzoic acid);pyrimidin-2-amine
CID 87271510
N-(2,4-dinitrophenyl)butanehydrazide
CID 132775513
5-nitroquinoline-8-carboxylic acid
CID 15405331
2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160
2,3-dinitropyridine;hydrazine
CID 175406944
bis(4-nitrophthalic acid);zirconium
CID 5176883
[2-(dimethylamino)-3-pyridinyl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 110306395
ethyl 3-[2,4-dinitro-N-(pyridin-3-ylmethyl)anilino]propanoate
CID 71914572
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021

Frequently Asked Questions

What is the IUPAC name of 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid (CID 119091498) is 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid is NN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ncccc1C(=O)O.
What is the InChIKey of 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid?
The InChIKey is PSNHLMYEXUQCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O6/c13-15(11-8(12(18)19)2-1-5-14-11)9-4-3-7(16(20)21)6-10(9)17(22)23/h1-6H,13H2,(H,18,19).
What are the key properties of 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid?
2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid has a molecular weight of 319.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-amino-2,4-dinitroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 119091498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).