3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol

C13H9FN2O4 — CID 135580942

IUPAC3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol
SMILES[H]/N=C(\c1cc([N+](=O)[O-])ccc1F)c1cccc(O)c1O
InChIInChI=1S/C13H9FN2O4/c14-10-5-4-7(16(19)20)6-9(10)12(15)8-2-1-3-11(17)13(8)18/h1-6,15,17-18H/b15-12-
InChIKeyWXZIWZUYXOZSNV-QINSGFPZSA-N
MW276.22 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol

3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol (PubChem CID 135580942) has the molecular formula C13H9FN2O4 and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol
PubChem CID135580942
Molecular FormulaC13H9FN2O4
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol
SMILES[H]/N=C(\c1cc([N+](=O)[O-])ccc1F)c1cccc(O)c1O
InChIInChI=1S/C13H9FN2O4/c14-10-5-4-7(16(19)20)6-9(10)12(15)8-2-1-3-11(17)13(8)18/h1-6,15,17-18H/b15-12-
InChIKeyWXZIWZUYXOZSNV-QINSGFPZSA-N
XLogP2.56
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-(3-nitrobenzenecarboximidoyl)phenol
CID 135580954
2-fluoro-5-nitrobenzenecarbothioyl chloride
CID 135379049
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-fluoro-7-nitronaphthalen-1-ol
CID 169489335
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
2-amino-5-nitrobenzenecarboximidamide
CID 23570805
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
(Z)-1-(2-fluoro-5-nitrophenyl)but-2-en-1-one
CID 139227167
bis(4-nitrophthalic acid);zirconium
CID 5176883
(2R)-4-(2-fluoro-4-nitrophenyl)-4-iminobutan-2-amine
CID 174519369
2-fluoro-4-nitrobenzoyl chloride
CID 10420435
4-nitro-2-(2,2,2-trifluoroethanimidoyl)aniline
CID 155135045

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol?
The IUPAC name of 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol (CID 135580942) is 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol.
What is the SMILES notation for 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol?
The canonical SMILES for 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol is [H]/N=C(\c1cc([N+](=O)[O-])ccc1F)c1cccc(O)c1O.
What is the InChIKey of 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol?
The InChIKey is WXZIWZUYXOZSNV-QINSGFPZSA-N. The full InChI is InChI=1S/C13H9FN2O4/c14-10-5-4-7(16(19)20)6-9(10)12(15)8-2-1-3-11(17)13(8)18/h1-6,15,17-18H/b15-12-.
What are the key properties of 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol?
3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol has a molecular weight of 276.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-nitrobenzenecarboximidoyl)benzene-1,2-diol is sourced from PubChem (CID 135580942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).