2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol

C14H16N4O3 — CID 79826901

IUPAC2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
SMILESNc1nc(N(CCO)Cc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O3/c15-14-12(18(20)21)6-7-13(16-14)17(8-9-19)10-11-4-2-1-3-5-11/h1-7,19H,8-10H2,(H2,15,16)
InChIKeyJDNGFWLRGGHDHJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.57
Rot. Bonds6

About 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol

2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol (PubChem CID 79826901) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
PubChem CID79826901
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
SMILESNc1nc(N(CCO)Cc2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H16N4O3/c15-14-12(18(20)21)6-7-13(16-14)17(8-9-19)10-11-4-2-1-3-5-11/h1-7,19H,8-10H2,(H2,15,16)
InChIKeyJDNGFWLRGGHDHJ-UHFFFAOYSA-N
XLogP1.57
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.57
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-2-pyridinyl)amino]ethanol
CID 28848522
2-[benzyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 62115116
2-[(5-amino-6-methoxy-2-pyridinyl)-benzylamino]ethanol
CID 62114263
N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511766
6-[benzyl(2-hydroxyethyl)amino]pyridine-2-carbothioamide
CID 64593716
6-(dibenzylamino)-5-nitropyridine-2-carboxylic acid
CID 67420399
2-[N-benzyl-2-nitro-4-(trifluoromethyl)anilino]ethanol
CID 122176806
2-(N-benzyl-3-chloro-2-nitroanilino)ethanol
CID 104838976
N'-benzyl-N'-(6-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511752
2-[(6-chloro-3-nitro-2-pyridinyl)-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 155666830
6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 79816318
2-[(5,6-diamino-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 79827356

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol?
The IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol (CID 79826901) is 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol?
The canonical SMILES for 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol is Nc1nc(N(CCO)Cc2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol?
The InChIKey is JDNGFWLRGGHDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-14-12(18(20)21)6-7-13(16-14)17(8-9-19)10-11-4-2-1-3-5-11/h1-7,19H,8-10H2,(H2,15,16).
What are the key properties of 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol?
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol has a molecular weight of 288.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol is sourced from PubChem (CID 79826901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).