2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol

C12H10N2O5 — CID 54122330

IUPAC2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=C/c2ccc(CO)o2)c1
InChIInChI=1S/C12H10N2O5/c15-7-10-3-2-9(19-10)6-13-11-5-8(14(17)18)1-4-12(11)16/h1-6,15-16H,7H2/b13-6+
InChIKeyNOOWOIYNFYVHJI-AWNIVKPZSA-N
MW262.22 g/mol
LogP2.14
Rot. Bonds4

About 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol

2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol (PubChem CID 54122330) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol
PubChem CID54122330
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/N=C/c2ccc(CO)o2)c1
InChIInChI=1S/C12H10N2O5/c15-7-10-3-2-9(19-10)6-13-11-5-8(14(17)18)1-4-12(11)16/h1-6,15-16H,7H2/b13-6+
InChIKeyNOOWOIYNFYVHJI-AWNIVKPZSA-N
XLogP2.14
TPSA109.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
4-methyl-2-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 171981355
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-(anthracen-9-ylmethylideneamino)-4-nitrophenol
CID 932237
dichlorotitanium;4-nitro-2-(pyrrol-1-id-2-ylmethylideneamino)phenol
CID 59235478
[5-(hydroxyiminomethyl)furan-2-yl]methanol
CID 71437375
2-(methylideneamino)-4-nitrophenol
CID 153394573
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-3,5-dimethoxyphenol
CID 135963051
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
4-ethyl-2-[(3-nitrophenyl)methylideneamino]phenol
CID 690293

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol (CID 54122330) is 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/N=C/c2ccc(CO)o2)c1.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol?
The InChIKey is NOOWOIYNFYVHJI-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-7-10-3-2-9(19-10)6-13-11-5-8(14(17)18)1-4-12(11)16/h1-6,15-16H,7H2/b13-6+.
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol?
2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol has a molecular weight of 262.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol is sourced from PubChem (CID 54122330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).