4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine

C8H12N4O3 — CID 130469784

IUPAC4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine
SMILESCOCCNc1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-15-3-2-10-6-4-8(9)11-5-7(6)12(13)14/h4-5H,2-3H2,1H3,(H3,9,10,11)
InChIKeyNCLZAJCNPYYRCM-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.63
Rot. Bonds5

About 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine

4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine (PubChem CID 130469784) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine
PubChem CID130469784
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine
SMILESCOCCNc1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-15-3-2-10-6-4-8(9)11-5-7(6)12(13)14/h4-5H,2-3H2,1H3,(H3,9,10,11)
InChIKeyNCLZAJCNPYYRCM-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 83008459
N-(5-methoxypentyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106832565
4-methoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 28549886
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
methyl 2-hydroxy-4-(2-methoxyethylamino)-5-nitrobenzoate
CID 67503490
1-N-(3-methoxypropyl)-2-nitrobenzene-1,4-diamine
CID 95446704
1-methoxy-4-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]butan-2-ol
CID 106832593
3-(2-methoxyethylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82989241
N-(2-methoxyethyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 43395012
5-methoxy-N-[2-(2-methoxyethoxy)ethyl]-2-nitroaniline
CID 79034025
4-N,4-N-diethyl-1-N-(2-methoxyethyl)-2-nitrobenzene-1,4-diamine
CID 90811507

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine (CID 130469784) is 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine is COCCNc1cc(N)ncc1[N+](=O)[O-].
What is the InChIKey of 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine?
The InChIKey is NCLZAJCNPYYRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-15-3-2-10-6-4-8(9)11-5-7(6)12(13)14/h4-5H,2-3H2,1H3,(H3,9,10,11).
What are the key properties of 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine?
4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine has a molecular weight of 212.21 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-5-nitropyridine-2,4-diamine is sourced from PubChem (CID 130469784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).