4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol

C13H13N3O4 — CID 169386178

IUPAC4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1cc(CNNc2ccccc2)c(O)cc1O
InChIInChI=1S/C13H13N3O4/c17-12-7-13(18)11(16(19)20)6-9(12)8-14-15-10-4-2-1-3-5-10/h1-7,14-15,17-18H,8H2
InChIKeyLEMWMTVYEVOSCE-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.12
Rot. Bonds5

About 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol

4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol (PubChem CID 169386178) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
PubChem CID169386178
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1cc(CNNc2ccccc2)c(O)cc1O
InChIInChI=1S/C13H13N3O4/c17-12-7-13(18)11(16(19)20)6-9(12)8-14-15-10-4-2-1-3-5-10/h1-7,14-15,17-18H,8H2
InChIKeyLEMWMTVYEVOSCE-UHFFFAOYSA-N
XLogP2.12
TPSA107.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384360
1-[(2-fluoro-5-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384410
4-(ethylaminomethyl)-6-nitrobenzene-1,3-diol
CID 112719991
2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol
CID 169386673
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385238
methyl 2-nitro-6-[(2-phenylhydrazinyl)methyl]benzoate
CID 169386668
3-(2,4-dihydroxy-5-nitrophenyl)propanoic acid
CID 112719952
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
3-nitronaphthalen-2-ol
CID 15859501
1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine
CID 169386939
2-[(2-phenylhydrazinyl)methyl]benzene-1,4-disulfonic acid
CID 169386947

Frequently Asked Questions

What is the IUPAC name of 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol?
The IUPAC name of 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol (CID 169386178) is 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol?
The canonical SMILES for 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol is O=[N+]([O-])c1cc(CNNc2ccccc2)c(O)cc1O.
What is the InChIKey of 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol?
The InChIKey is LEMWMTVYEVOSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12-7-13(18)11(16(19)20)6-9(12)8-14-15-10-4-2-1-3-5-10/h1-7,14-15,17-18H,8H2.
What are the key properties of 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol?
4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol has a molecular weight of 275.26 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 169386178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).