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

C14H15N3O3 — CID 28848522

IUPAC2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cccnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-10-9-16(11-12-5-2-1-3-6-12)14-13(17(19)20)7-4-8-15-14/h1-8,18H,9-11H2
InChIKeyCWJPDHXOKGBCTR-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.99
Rot. Bonds6

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

2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 28848522) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
PubChem CID28848522
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cccnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-10-9-16(11-12-5-2-1-3-6-12)14-13(17(19)20)7-4-8-15-14/h1-8,18H,9-11H2
InChIKeyCWJPDHXOKGBCTR-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-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 62115116
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
CID 79826901
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110433912
2-[(6-chloro-3-nitro-2-pyridinyl)-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 155666830
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
N,N-dibenzyl-3-nitropyridin-4-amine
CID 69170535
6-(dibenzylamino)-5-nitropyridine-2-carboxylic acid
CID 67420399
N'-benzyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511823
2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethanol
CID 122176806
N'-benzyl-N'-(5-chloro-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511810

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol (CID 28848522) is 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol is O=[N+]([O-])c1cccnc1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is CWJPDHXOKGBCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-10-9-16(11-12-5-2-1-3-6-12)14-13(17(19)20)7-4-8-15-14/h1-8,18H,9-11H2.
What are the key properties of 2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol?
2-[benzyl-(3-nitro-2-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-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 28848522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).