2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

C9H15N5O4 — CID 80898902

IUPAC2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNNc1ccc([N+](=O)[O-])c(N(CCO)CCO)n1
InChIInChI=1S/C9H15N5O4/c10-12-8-2-1-7(14(17)18)9(11-8)13(3-5-15)4-6-16/h1-2,15-16H,3-6,10H2,(H,11,12)
InChIKeyYSOMKUOAVNAEEP-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.93
Rot. Bonds7

About 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 80898902) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID80898902
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNNc1ccc([N+](=O)[O-])c(N(CCO)CCO)n1
InChIInChI=1S/C9H15N5O4/c10-12-8-2-1-7(14(17)18)9(11-8)13(3-5-15)4-6-16/h1-2,15-16H,3-6,10H2,(H,11,12)
InChIKeyYSOMKUOAVNAEEP-UHFFFAOYSA-N
XLogP-0.93
TPSA137.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 80894166
6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
CID 80929654
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80902169
methyl 6-[butyl(2-hydroxyethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403802
N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine
CID 80899980
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
6-hydrazinyl-N-methyl-3-nitro-N-(oxolan-3-yl)pyridin-2-amine
CID 82747704

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol (CID 80898902) is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is NNc1ccc([N+](=O)[O-])c(N(CCO)CCO)n1.
What is the InChIKey of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is YSOMKUOAVNAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4/c10-12-8-2-1-7(14(17)18)9(11-8)13(3-5-15)4-6-16/h1-2,15-16H,3-6,10H2,(H,11,12).
What are the key properties of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 257.25 g/mol, XLogP of -0.93, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 80898902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).