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

C14H15N3O3 — CID 62115116

IUPAC2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnccc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-9-8-16(11-12-4-2-1-3-5-12)13-6-7-15-10-14(13)17(19)20/h1-7,10,18H,8-9,11H2
InChIKeyARNKURBSRLKQNP-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.99
Rot. Bonds6

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

2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol (PubChem CID 62115116) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
PubChem CID62115116
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnccc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-9-8-16(11-12-4-2-1-3-5-12)13-6-7-15-10-14(13)17(19)20/h1-7,10,18H,8-9,11H2
InChIKeyARNKURBSRLKQNP-UHFFFAOYSA-N
XLogP1.99
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N,N-dibenzyl-3-nitropyridin-4-amine
CID 69170535
2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 61234932
2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 28848522
2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethanol
CID 122176806
2-(N-benzyl-3-chloro-2-nitroanilino)ethanol
CID 104838976
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
CID 79826901
2-[2-hydroxyethyl-(8-nitroisoquinolin-5-yl)amino]ethanol
CID 61233836
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001
1-[benzyl-(8-nitroisoquinolin-5-yl)amino]-2-methylpropan-2-ol
CID 133435518
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
6-(dibenzylamino)-5-nitropyridine-2-carboxylic acid
CID 67420399
2-[2-methylpropyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 63064145

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol?
The IUPAC name of 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol (CID 62115116) is 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol is O=[N+]([O-])c1cnccc1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol?
The InChIKey is ARNKURBSRLKQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-9-8-16(11-12-4-2-1-3-5-12)13-6-7-15-10-14(13)17(19)20/h1-7,10,18H,8-9,11H2.
What are the key properties of 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol?
2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol has a molecular weight of 273.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol is sourced from PubChem (CID 62115116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).