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

C9H14N4O3 — CID 80841044

IUPAC3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O3/c1-6(5-14)4-11-9-7(13(15)16)2-3-8(10)12-9/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12)
InChIKeyBWMPQFUTAZDILQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.61
Rot. Bonds5

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

3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol (PubChem CID 80841044) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
PubChem CID80841044
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H14N4O3/c1-6(5-14)4-11-9-7(13(15)16)2-3-8(10)12-9/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12)
InChIKeyBWMPQFUTAZDILQ-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
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

2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 80792164
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 80850691
3-[[(6-amino-3-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 80842997
3-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 80891363
3-methyl-4-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butan-1-ol
CID 80850424
3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
3-nitro-2-N-(3-phenylbutyl)pyridine-2,6-diamine
CID 80807970
methyl 2-[(6-amino-3-nitro-2-pyridinyl)amino]propanoate
CID 70979729
3-nitro-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2,6-diamine
CID 80849081
2-N-(3-ethylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80839068
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106332163

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol (CID 80841044) is 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol is CC(CO)CNc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol?
The InChIKey is BWMPQFUTAZDILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-6(5-14)4-11-9-7(13(15)16)2-3-8(10)12-9/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12).
What are the key properties of 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol?
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80841044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).