(2-hydroxy-3-nitrophenyl)boronic acid

C6H6BNO5 — CID 91825807

IUPAC(2-hydroxy-3-nitrophenyl)boronic acid
SMILESO=[N+]([O-])c1cccc(B(O)O)c1O
InChIInChI=1S/C6H6BNO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9-11H
InChIKeyGDJHCCBLZVNTLT-UHFFFAOYSA-N
MW182.93 g/mol
LogP-1.02
Rot. Bonds2

About (2-hydroxy-3-nitrophenyl)boronic acid

(2-hydroxy-3-nitrophenyl)boronic acid (PubChem CID 91825807) has the molecular formula C6H6BNO5 and a molecular weight of 182.93 g/mol. Its IUPAC name is (2-hydroxy-3-nitrophenyl)boronic acid.

Molecular Properties

Compound Name(2-hydroxy-3-nitrophenyl)boronic acid
PubChem CID91825807
Molecular FormulaC6H6BNO5
Molecular Weight182.93 g/mol
Exact Mass183.03
IUPAC Name(2-hydroxy-3-nitrophenyl)boronic acid
SMILESO=[N+]([O-])c1cccc(B(O)O)c1O
InChIInChI=1S/C6H6BNO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9-11H
InChIKeyGDJHCCBLZVNTLT-UHFFFAOYSA-N
XLogP-1.02
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.93
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-nitro-6-pentan-3-ylphenol
CID 528951
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
methanol;2-nitrophenol
CID 157303764
(3-nitronaphthalen-2-yl)boronic acid
CID 140905609
2-aminopropanoic acid;3-nitrobenzene-1,2-diol
CID 174413522
2-(2-hydroxy-3-nitrophenyl)benzoic acid
CID 150610038
2-hydroxy-3-nitrobenzenesulfonyl chloride
CID 55280798
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
CID 58418423
CID 58418423
2-[2,3-diamino-4-(2-hydroxy-3-nitrophenyl)buta-1,3-dienyl]-6-nitrophenol
CID 173446234
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-nitrophenyl)boronic acid?
The IUPAC name of (2-hydroxy-3-nitrophenyl)boronic acid (CID 91825807) is (2-hydroxy-3-nitrophenyl)boronic acid.
What is the SMILES notation for (2-hydroxy-3-nitrophenyl)boronic acid?
The canonical SMILES for (2-hydroxy-3-nitrophenyl)boronic acid is O=[N+]([O-])c1cccc(B(O)O)c1O.
What is the InChIKey of (2-hydroxy-3-nitrophenyl)boronic acid?
The InChIKey is GDJHCCBLZVNTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BNO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9-11H.
What are the key properties of (2-hydroxy-3-nitrophenyl)boronic acid?
(2-hydroxy-3-nitrophenyl)boronic acid has a molecular weight of 182.93 g/mol, XLogP of -1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-nitrophenyl)boronic acid is sourced from PubChem (CID 91825807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).