N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine

C8H12N4O3 — CID 69485063

IUPACN'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1nc(NCCN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-15-8-6(12(13)14)2-3-7(11-8)10-5-4-9/h2-3H,4-5,9H2,1H3,(H,10,11)
InChIKeyOKRVVSLRYJBBMU-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.37
Rot. Bonds5

About N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine

N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 69485063) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID69485063
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC NameN'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1nc(NCCN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-15-8-6(12(13)14)2-3-7(11-8)10-5-4-9/h2-3H,4-5,9H2,1H3,(H,10,11)
InChIKeyOKRVVSLRYJBBMU-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'}

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Related Compounds

6-methoxy-5-nitro-N-(propylideneamino)pyridin-2-amine
CID 168931998
6-methoxy-5-nitropyridine-2-carboxamide
CID 55252610
5-nitro-6-phenylmethoxy-N-propylpyridin-2-amine
CID 80845026
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 113450416
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]oxy]ethanol
CID 80859500
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-5-nitro-N-propylpyridin-2-amine
CID 106598821
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 69485063) is N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine is COc1nc(NCCN)ccc1[N+](=O)[O-].
What is the InChIKey of N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is OKRVVSLRYJBBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-15-8-6(12(13)14)2-3-7(11-8)10-5-4-9/h2-3H,4-5,9H2,1H3,(H,10,11).
What are the key properties of N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-(6-methoxy-5-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-5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 69485063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).