4-borono-3-formamidobenzoic acid

C8H8BNO5 — CID 168654201

IUPAC4-borono-3-formamidobenzoic acid
SMILESO=CNc1cc(C(=O)O)ccc1B(O)O
InChIInChI=1S/C8H8BNO5/c11-4-10-7-3-5(8(12)13)1-2-6(7)9(14)15/h1-4,14-15H,(H,10,11)(H,12,13)
InChIKeyUTNQCDCENQURBE-UHFFFAOYSA-N
MW208.97 g/mol
LogP-1.37
Rot. Bonds4

About 4-borono-3-formamidobenzoic acid

4-borono-3-formamidobenzoic acid (PubChem CID 168654201) has the molecular formula C8H8BNO5 and a molecular weight of 208.97 g/mol. Its IUPAC name is 4-borono-3-formamidobenzoic acid.

Molecular Properties

Compound Name4-borono-3-formamidobenzoic acid
PubChem CID168654201
Molecular FormulaC8H8BNO5
Molecular Weight208.97 g/mol
Exact Mass209.05
IUPAC Name4-borono-3-formamidobenzoic acid
SMILESO=CNc1cc(C(=O)O)ccc1B(O)O
InChIInChI=1S/C8H8BNO5/c11-4-10-7-3-5(8(12)13)1-2-6(7)9(14)15/h1-4,14-15H,(H,10,11)(H,12,13)
InChIKeyUTNQCDCENQURBE-UHFFFAOYSA-N
XLogP-1.37
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.97
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-formamido-3-hydroxybenzoic acid
CID 56997255
3,4-diacetamidobenzoic acid
CID 2735923
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
(5-formamido-2-methylphenyl)boronic acid
CID 168652597
methyl 4-bromo-3-formamidobenzoate
CID 122687075
N-(4-acetyl-2-tert-butylphenyl)formamide
CID 168654495
3,5-diformamidobenzoic acid
CID 88824919
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511
tert-butyl 4-fluoro-3-formamidobenzoate
CID 168652276
3-borono-4-methoxybenzoic acid
CID 42614541
N-(4-tert-butyl-3-formamidophenyl)formamide
CID 71620542
methyl 3-tert-butyl-4-formamidobenzoate
CID 168652003

Frequently Asked Questions

What is the IUPAC name of 4-borono-3-formamidobenzoic acid?
The IUPAC name of 4-borono-3-formamidobenzoic acid (CID 168654201) is 4-borono-3-formamidobenzoic acid.
What is the SMILES notation for 4-borono-3-formamidobenzoic acid?
The canonical SMILES for 4-borono-3-formamidobenzoic acid is O=CNc1cc(C(=O)O)ccc1B(O)O.
What is the InChIKey of 4-borono-3-formamidobenzoic acid?
The InChIKey is UTNQCDCENQURBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BNO5/c11-4-10-7-3-5(8(12)13)1-2-6(7)9(14)15/h1-4,14-15H,(H,10,11)(H,12,13).
What are the key properties of 4-borono-3-formamidobenzoic acid?
4-borono-3-formamidobenzoic acid has a molecular weight of 208.97 g/mol, XLogP of -1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-borono-3-formamidobenzoic acid is sourced from PubChem (CID 168654201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).