4-formamido-3-hydroxybenzoic acid

C8H7NO4 — CID 56997255

IUPAC4-formamido-3-hydroxybenzoic acid
SMILESO=CNc1ccc(C(=O)O)cc1O
InChIInChI=1S/C8H7NO4/c10-4-9-6-2-1-5(8(12)13)3-7(6)11/h1-4,11H,(H,9,10)(H,12,13)
InChIKeySXPILDKUHXARLZ-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.66
Rot. Bonds3

About 4-formamido-3-hydroxybenzoic acid

4-formamido-3-hydroxybenzoic acid (PubChem CID 56997255) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 4-formamido-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-formamido-3-hydroxybenzoic acid
PubChem CID56997255
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name4-formamido-3-hydroxybenzoic acid
SMILESO=CNc1ccc(C(=O)O)cc1O
InChIInChI=1S/C8H7NO4/c10-4-9-6-2-1-5(8(12)13)3-7(6)11/h1-4,11H,(H,9,10)(H,12,13)
InChIKeySXPILDKUHXARLZ-UHFFFAOYSA-N
XLogP0.66
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-formamido-3-hydroxybenzoate
CID 91622889
4-(2,2-dicyanoethenylamino)-3-hydroxybenzoic acid
CID 168545336
4-borono-3-formamidobenzoic acid
CID 168654201
3-hydroxy-4-(prop-2-enoylamino)benzoic acid
CID 45089793
4-(2,2-dimethylpropanoylamino)-3-hydroxybenzoic acid
CID 55024977
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
benzene;3,4-dihydroxybenzoic acid
CID 175073097
4-(2-chloropropanoylamino)-3-hydroxybenzoic acid
CID 108744195
3-hydroxy-4-(propan-2-ylsulfonylamino)benzoic acid
CID 60858137
3-hydroxy-4-[(2-methoxyacetyl)amino]benzoic acid
CID 61277367
3-hydroxy-4-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 60826514

Frequently Asked Questions

What is the IUPAC name of 4-formamido-3-hydroxybenzoic acid?
The IUPAC name of 4-formamido-3-hydroxybenzoic acid (CID 56997255) is 4-formamido-3-hydroxybenzoic acid.
What is the SMILES notation for 4-formamido-3-hydroxybenzoic acid?
The canonical SMILES for 4-formamido-3-hydroxybenzoic acid is O=CNc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-formamido-3-hydroxybenzoic acid?
The InChIKey is SXPILDKUHXARLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c10-4-9-6-2-1-5(8(12)13)3-7(6)11/h1-4,11H,(H,9,10)(H,12,13).
What are the key properties of 4-formamido-3-hydroxybenzoic acid?
4-formamido-3-hydroxybenzoic acid has a molecular weight of 181.15 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-3-hydroxybenzoic acid is sourced from PubChem (CID 56997255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).