2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol

C9H13N3O4 — CID 61234932

IUPAC2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnccc1N(CCO)CCO
InChIInChI=1S/C9H13N3O4/c13-5-3-11(4-6-14)8-1-2-10-7-9(8)12(15)16/h1-2,7,13-14H,3-6H2
InChIKeyGBHTXOROBISCAN-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.22
Rot. Bonds6

About 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol

2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol (PubChem CID 61234932) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
PubChem CID61234932
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnccc1N(CCO)CCO
InChIInChI=1S/C9H13N3O4/c13-5-3-11(4-6-14)8-1-2-10-7-9(8)12(15)16/h1-2,7,13-14H,3-6H2
InChIKeyGBHTXOROBISCAN-UHFFFAOYSA-N
XLogP-0.22
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
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-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 62115116
2-[2-hydroxyethyl-(8-nitroisoquinolin-5-yl)amino]ethanol
CID 61233836
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
2-[(5-nitroisoquinolin-8-yl)-propylamino]ethanol
CID 103142518
N,N-dibenzyl-3-nitropyridin-4-amine
CID 69170535
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
2-[2-methylpropyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 63064145
2-[cyclopropylmethyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 43656324
2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 61245195
2-(2-nitro-N-propylanilino)ethanol
CID 61426021
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79719980
2-[ethyl-(3-nitro-4-pyridinyl)amino]-2-methylpropanoic acid
CID 62818391

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol (CID 61234932) is 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol is O=[N+]([O-])c1cnccc1N(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol?
The InChIKey is GBHTXOROBISCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-5-3-11(4-6-14)8-1-2-10-7-9(8)12(15)16/h1-2,7,13-14H,3-6H2.
What are the key properties of 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol?
2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol has a molecular weight of 227.22 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol is sourced from PubChem (CID 61234932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).