4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol

C13H13N3O4 — CID 11608792

IUPAC4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1cccnc1NCC(O)c1ccc(O)cc1
InChIInChI=1S/C13H13N3O4/c17-10-5-3-9(4-6-10)12(18)8-15-13-11(16(19)20)2-1-7-14-13/h1-7,12,17-18H,8H2,(H,14,15)
InChIKeyJDKCLELABBVEJA-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.84
Rot. Bonds5

About 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol

4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol (PubChem CID 11608792) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
PubChem CID11608792
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1cccnc1NCC(O)c1ccc(O)cc1
InChIInChI=1S/C13H13N3O4/c17-10-5-3-9(4-6-10)12(18)8-15-13-11(16(19)20)2-1-7-14-13/h1-7,12,17-18H,8H2,(H,14,15)
InChIKeyJDKCLELABBVEJA-UHFFFAOYSA-N
XLogP1.84
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.84
H-Bond Donors ≤ 53
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

1-(3,5-dimethoxyphenyl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
CID 133307479
1-(1-methylpyrazol-4-yl)-2-[(3-nitro-2-pyridinyl)amino]ethanol
CID 133323532
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
3-[(3-nitro-2-pyridinyl)amino]-2-phenylpropanoic acid
CID 13214598
2-methyl-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 62675905
4-[1-hydroxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]ethyl]phenol
CID 11601592
N-(2-methyl-3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 63966801
1-(4-fluorophenoxy)-3-[(3-nitro-2-pyridinyl)amino]propan-2-ol
CID 47072410
2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
CID 81138787
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
2-[[hydroxy(methyl)boranyl]amino]-3-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 22954656

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol (CID 11608792) is 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol is O=[N+]([O-])c1cccnc1NCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol?
The InChIKey is JDKCLELABBVEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-10-5-3-9(4-6-10)12(18)8-15-13-11(16(19)20)2-1-7-14-13/h1-7,12,17-18H,8H2,(H,14,15).
What are the key properties of 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol?
4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol has a molecular weight of 275.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-[(3-nitro-2-pyridinyl)amino]ethyl]phenol is sourced from PubChem (CID 11608792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).