2,4-dinitropyridin-3-amine

C5H4N4O4 — CID 19034991

IUPAC2,4-dinitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ccnc1[N+](=O)[O-]
InChIInChI=1S/C5H4N4O4/c6-4-3(8(10)11)1-2-7-5(4)9(12)13/h1-2H,6H2
InChIKeyWADBBBYBQNKQEO-UHFFFAOYSA-N
MW184.11 g/mol
LogP0.48
Rot. Bonds2

About 2,4-dinitropyridin-3-amine

2,4-dinitropyridin-3-amine (PubChem CID 19034991) has the molecular formula C5H4N4O4 and a molecular weight of 184.11 g/mol. Its IUPAC name is 2,4-dinitropyridin-3-amine.

Molecular Properties

Compound Name2,4-dinitropyridin-3-amine
PubChem CID19034991
Molecular FormulaC5H4N4O4
Molecular Weight184.11 g/mol
Exact Mass184.02
IUPAC Name2,4-dinitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ccnc1[N+](=O)[O-]
InChIInChI=1S/C5H4N4O4/c6-4-3(8(10)11)1-2-7-5(4)9(12)13/h1-2H,6H2
InChIKeyWADBBBYBQNKQEO-UHFFFAOYSA-N
XLogP0.48
TPSA125.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-chloro-2,4-dinitropyridine
CID 174686743
2-ethenyl-4-nitropyridin-3-amine
CID 74891834
4-nitro-2-phenylpyridin-3-amine
CID 131339480
2,3-dinitropyridine;hydrazine
CID 175406944
3-methyl-4-nitropyridin-2-amine
CID 19758038
7-nitroquinolin-8-amine
CID 12663942
1-(3-amino-2-nitro-4-pyridinyl)hexan-1-one
CID 67636400
3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide
CID 67637181
4-nitro-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789362
(3-bromo-2-nitro-4-pyridinyl)methanamine
CID 118840021
3-fluoro-2-iodo-4-nitropyridine
CID 130867110
3-chloro-2-methyl-4-nitropyridine
CID 21364039

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitropyridin-3-amine?
The IUPAC name of 2,4-dinitropyridin-3-amine (CID 19034991) is 2,4-dinitropyridin-3-amine.
What is the SMILES notation for 2,4-dinitropyridin-3-amine?
The canonical SMILES for 2,4-dinitropyridin-3-amine is Nc1c([N+](=O)[O-])ccnc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitropyridin-3-amine?
The InChIKey is WADBBBYBQNKQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O4/c6-4-3(8(10)11)1-2-7-5(4)9(12)13/h1-2H,6H2.
What are the key properties of 2,4-dinitropyridin-3-amine?
2,4-dinitropyridin-3-amine has a molecular weight of 184.11 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitropyridin-3-amine is sourced from PubChem (CID 19034991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).