1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol

C10H16N4O3 — CID 113497685

IUPAC1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H16N4O3/c1-2-7(15)5-6-12-9-4-3-8(14(16)17)10(11)13-9/h3-4,7,15H,2,5-6H2,1H3,(H3,11,12,13)
InChIKeyFUCLCUSMLONRIV-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.14
Rot. Bonds6

About 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol

1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol (PubChem CID 113497685) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
PubChem CID113497685
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H16N4O3/c1-2-7(15)5-6-12-9-4-3-8(14(16)17)10(11)13-9/h3-4,7,15H,2,5-6H2,1H3,(H3,11,12,13)
InChIKeyFUCLCUSMLONRIV-UHFFFAOYSA-N
XLogP1.14
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.14
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-butyl-3-nitropyridine-2,6-diamine
CID 79827989
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
1-(5-fluoro-2-nitroanilino)pentan-3-ol
CID 113497687
1-(3-iodo-4-nitroanilino)pentan-3-ol
CID 113259160

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol?
The IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol (CID 113497685) is 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol?
The canonical SMILES for 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol is CCC(O)CCNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol?
The InChIKey is FUCLCUSMLONRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-7(15)5-6-12-9-4-3-8(14(16)17)10(11)13-9/h3-4,7,15H,2,5-6H2,1H3,(H3,11,12,13).
What are the key properties of 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol?
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol has a molecular weight of 240.26 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol is sourced from PubChem (CID 113497685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).