2,6-dihydroxy-N-oxobenzamide

C7H5NO4 — CID 145079807

IUPAC2,6-dihydroxy-N-oxobenzamide
SMILESO=NC(=O)c1c(O)cccc1O
InChIInChI=1S/C7H5NO4/c9-4-2-1-3-5(10)6(4)7(11)8-12/h1-3,9-10H
InChIKeyUKIWDPKJYQUFOI-UHFFFAOYSA-N
MW167.12 g/mol
LogP1.00
Rot. Bonds1

About 2,6-dihydroxy-N-oxobenzamide

2,6-dihydroxy-N-oxobenzamide (PubChem CID 145079807) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is 2,6-dihydroxy-N-oxobenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-oxobenzamide
PubChem CID145079807
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Name2,6-dihydroxy-N-oxobenzamide
SMILESO=NC(=O)c1c(O)cccc1O
InChIInChI=1S/C7H5NO4/c9-4-2-1-3-5(10)6(4)7(11)8-12/h1-3,9-10H
InChIKeyUKIWDPKJYQUFOI-UHFFFAOYSA-N
XLogP1.00
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dihydroxybenzoic acid;hydrate
CID 169225453
N'-acetyl-2,6-dihydroxybenzohydrazide
CID 139076787
2-carboxy-3-hydroxyphenolate
CID 54676638
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
2-amino-6-hydroxybenzamide
CID 15089372
13-methyl-N,3,5-trioxo-4-azapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),7(19),8,10,12,14(18),15-octaene-12-carboxamide
CID 137476938
2-fluoro-6-hydroxybenzamide
CID 15219200
2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid
CID 18628402
bis(2-carboxy-3-hydroxyphenolate);iron(2+)
CID 160551769
2-chloro-1-(2,6-dihydroxyphenyl)propan-1-one
CID 130826367
N-cyclopent-3-en-1-yl-2,6-dihydroxybenzamide
CID 103890634
2,6-dihydroxy-N-(2-methoxyethoxy)benzamide
CID 103890596

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-oxobenzamide?
The IUPAC name of 2,6-dihydroxy-N-oxobenzamide (CID 145079807) is 2,6-dihydroxy-N-oxobenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-oxobenzamide?
The canonical SMILES for 2,6-dihydroxy-N-oxobenzamide is O=NC(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-oxobenzamide?
The InChIKey is UKIWDPKJYQUFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-4-2-1-3-5(10)6(4)7(11)8-12/h1-3,9-10H.
What are the key properties of 2,6-dihydroxy-N-oxobenzamide?
2,6-dihydroxy-N-oxobenzamide has a molecular weight of 167.12 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-oxobenzamide is sourced from PubChem (CID 145079807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).