2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol

C9H14N4O3 — CID 79827629

IUPAC2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O3/c1-2-6(5-14)11-8-4-3-7(13(15)16)9(10)12-8/h3-4,6,14H,2,5H2,1H3,(H3,10,11,12)
InChIKeyJUMZJJDXKMYLSF-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.75
Rot. Bonds5

About 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol

2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 79827629) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID79827629
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O3/c1-2-6(5-14)11-8-4-3-7(13(15)16)9(10)12-8/h3-4,6,14H,2,5H2,1H3,(H3,10,11,12)
InChIKeyJUMZJJDXKMYLSF-UHFFFAOYSA-N
XLogP0.75
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
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-N-(1-methylsulfanylbutan-2-yl)-3-nitropyridine-2,6-diamine
CID 113494870
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
2-[(4-amino-5-nitropyrimidin-2-yl)amino]butan-1-ol
CID 52992955
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081
(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
5-nitro-2-N-pentan-3-ylpyrimidine-2,4-diamine
CID 47277206

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol (CID 79827629) is 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol is CCC(CO)Nc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is JUMZJJDXKMYLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-6(5-14)11-8-4-3-7(13(15)16)9(10)12-8/h3-4,6,14H,2,5H2,1H3,(H3,10,11,12).
What are the key properties of 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol?
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 79827629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).