N-ethyl-2,4,6-trinitropyridin-3-amine

C7H7N5O6 — CID 71424145

IUPACN-ethyl-2,4,6-trinitropyridin-3-amine
SMILESCCNc1c([N+](=O)[O-])cc([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O6/c1-2-8-6-4(10(13)14)3-5(11(15)16)9-7(6)12(17)18/h3,8H,2H2,1H3
InChIKeySTZYMBCUQXEVPP-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.24
Rot. Bonds5

About N-ethyl-2,4,6-trinitropyridin-3-amine

N-ethyl-2,4,6-trinitropyridin-3-amine (PubChem CID 71424145) has the molecular formula C7H7N5O6 and a molecular weight of 257.16 g/mol. Its IUPAC name is N-ethyl-2,4,6-trinitropyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2,4,6-trinitropyridin-3-amine
PubChem CID71424145
Molecular FormulaC7H7N5O6
Molecular Weight257.16 g/mol
Exact Mass257.04
IUPAC NameN-ethyl-2,4,6-trinitropyridin-3-amine
SMILESCCNc1c([N+](=O)[O-])cc([N+](=O)[O-])nc1[N+](=O)[O-]
InChIInChI=1S/C7H7N5O6/c1-2-8-6-4(10(13)14)3-5(11(15)16)9-7(6)12(17)18/h3,8H,2H2,1H3
InChIKeySTZYMBCUQXEVPP-UHFFFAOYSA-N
XLogP1.24
TPSA154.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-bromo-4-chloro-N-ethyl-6-nitroaniline
CID 134174808
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
N,6-diethyl-3-nitroquinolin-2-amine
CID 174878074
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
N-ethyl-5-nitro-2,4-dipropoxyaniline
CID 96710244
6-(ethylamino)-5-nitropyridine-2-carboxylic acid
CID 114403392
2-N-(2-bromo-5-chlorophenyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 81255899
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
6-butylsulfanyl-N-ethyl-5-nitropyridin-2-amine
CID 80883977
2,3-dichloro-4,6-dinitropyridine
CID 71429452
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,6-trinitropyridin-3-amine?
The IUPAC name of N-ethyl-2,4,6-trinitropyridin-3-amine (CID 71424145) is N-ethyl-2,4,6-trinitropyridin-3-amine.
What is the SMILES notation for N-ethyl-2,4,6-trinitropyridin-3-amine?
The canonical SMILES for N-ethyl-2,4,6-trinitropyridin-3-amine is CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])nc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2,4,6-trinitropyridin-3-amine?
The InChIKey is STZYMBCUQXEVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O6/c1-2-8-6-4(10(13)14)3-5(11(15)16)9-7(6)12(17)18/h3,8H,2H2,1H3.
What are the key properties of N-ethyl-2,4,6-trinitropyridin-3-amine?
N-ethyl-2,4,6-trinitropyridin-3-amine has a molecular weight of 257.16 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,6-trinitropyridin-3-amine is sourced from PubChem (CID 71424145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).