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

C9H14N4O4 — CID 79815785

IUPAC1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O4/c1-17-5-6(14)4-11-8-3-2-7(13(15)16)9(10)12-8/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12)
InChIKeyNWJDKSZLOIXCDB-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.01
Rot. Bonds6

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

1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol (PubChem CID 79815785) has the molecular formula C9H14N4O4 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
PubChem CID79815785
Molecular FormulaC9H14N4O4
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C9H14N4O4/c1-17-5-6(14)4-11-8-3-2-7(13(15)16)9(10)12-8/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12)
InChIKeyNWJDKSZLOIXCDB-UHFFFAOYSA-N
XLogP-0.01
TPSA123.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 79889536
6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 113450416
2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid
CID 79827232
1-methoxy-3-(3-methyl-4-nitroanilino)propan-2-ol
CID 56791636
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol (CID 79815785) is 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
The InChIKey is NWJDKSZLOIXCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-17-5-6(14)4-11-8-3-2-7(13(15)16)9(10)12-8/h2-3,6,14H,4-5H2,1H3,(H3,10,11,12).
What are the key properties of 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol?
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol has a molecular weight of 242.24 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 79815785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).