2-[(2-hydroxyanilino)methyl]-4-nitrophenol

C13H12N2O4 — CID 83321921

IUPAC2-[(2-hydroxyanilino)methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(CNc2ccccc2O)c1
InChIInChI=1S/C13H12N2O4/c16-12-6-5-10(15(18)19)7-9(12)8-14-11-3-1-2-4-13(11)17/h1-7,14,16-17H,8H2
InChIKeyGMHRROASXGJSGR-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.62
Rot. Bonds4

About 2-[(2-hydroxyanilino)methyl]-4-nitrophenol

2-[(2-hydroxyanilino)methyl]-4-nitrophenol (PubChem CID 83321921) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(2-hydroxyanilino)methyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(2-hydroxyanilino)methyl]-4-nitrophenol
PubChem CID83321921
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[(2-hydroxyanilino)methyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(CNc2ccccc2O)c1
InChIInChI=1S/C13H12N2O4/c16-12-6-5-10(15(18)19)7-9(12)8-14-11-3-1-2-4-13(11)17/h1-7,14,16-17H,8H2
InChIKeyGMHRROASXGJSGR-UHFFFAOYSA-N
XLogP2.62
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

2-[(2-chloroanilino)methyl]-4-nitrophenol
CID 142621653
2-[(acridin-9-ylamino)methyl]-4-nitrophenol
CID 45103228
4-chloro-2-[(2-nitroanilino)methyl]phenol
CID 43718212
4-bromo-2-[(2-fluoro-4-nitroanilino)methyl]phenol
CID 107737861
4-nitro-2-[(propan-2-ylamino)methyl]phenol
CID 42801427
2-hydroxy-5-[(2-hydroxy-5-nitrophenyl)methylamino]benzoic acid
CID 174571987
4-nitro-2-(propylaminomethyl)phenol
CID 62071273
4-chloro-2-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylamino]phenol
CID 69014427
2-(aminomethyl)-4-nitrophenol
CID 2115073
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-[(cyclopropylmethylamino)methyl]-4-nitrophenol
CID 115602981
2-[(3-hydroxypropylamino)methyl]-4-nitrophenol
CID 82679278

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyanilino)methyl]-4-nitrophenol?
The IUPAC name of 2-[(2-hydroxyanilino)methyl]-4-nitrophenol (CID 83321921) is 2-[(2-hydroxyanilino)methyl]-4-nitrophenol.
What is the SMILES notation for 2-[(2-hydroxyanilino)methyl]-4-nitrophenol?
The canonical SMILES for 2-[(2-hydroxyanilino)methyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(CNc2ccccc2O)c1.
What is the InChIKey of 2-[(2-hydroxyanilino)methyl]-4-nitrophenol?
The InChIKey is GMHRROASXGJSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12-6-5-10(15(18)19)7-9(12)8-14-11-3-1-2-4-13(11)17/h1-7,14,16-17H,8H2.
What are the key properties of 2-[(2-hydroxyanilino)methyl]-4-nitrophenol?
2-[(2-hydroxyanilino)methyl]-4-nitrophenol has a molecular weight of 260.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyanilino)methyl]-4-nitrophenol is sourced from PubChem (CID 83321921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).