N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine

C8H12N4O3 — CID 3023916

IUPACN'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc([N+](=O)[O-])c(NCCN)n1
InChIInChI=1S/C8H12N4O3/c1-15-7-3-2-6(12(13)14)8(11-7)10-5-4-9/h2-3H,4-5,9H2,1H3,(H,10,11)
InChIKeyLCBOUOIZAQDTRX-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.37
Rot. Bonds5

About N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine

N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 3023916) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID3023916
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc([N+](=O)[O-])c(NCCN)n1
InChIInChI=1S/C8H12N4O3/c1-15-7-3-2-6(12(13)14)8(11-7)10-5-4-9/h2-3H,4-5,9H2,1H3,(H,10,11)
InChIKeyLCBOUOIZAQDTRX-UHFFFAOYSA-N
XLogP0.37
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
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'}

Analyze N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 3023916) is N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine is COc1ccc([N+](=O)[O-])c(NCCN)n1.
What is the InChIKey of N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is LCBOUOIZAQDTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-15-7-3-2-6(12(13)14)8(11-7)10-5-4-9/h2-3H,4-5,9H2,1H3,(H,10,11).
What are the key properties of N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 212.21 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 3023916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).