3,4-dihydroxy-N-pyridin-2-ylbenzamide

C12H10N2O3 — CID 586252

IUPAC3,4-dihydroxy-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(O)c(O)c1
InChIInChI=1S/C12H10N2O3/c15-9-5-4-8(7-10(9)16)12(17)14-11-3-1-2-6-13-11/h1-7,15-16H,(H,13,14,17)
InChIKeyZJDKNRRVXPOOCG-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.75
Rot. Bonds2

About 3,4-dihydroxy-N-pyridin-2-ylbenzamide

3,4-dihydroxy-N-pyridin-2-ylbenzamide (PubChem CID 586252) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3,4-dihydroxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-pyridin-2-ylbenzamide
PubChem CID586252
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3,4-dihydroxy-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(O)c(O)c1
InChIInChI=1S/C12H10N2O3/c15-9-5-4-8(7-10(9)16)12(17)14-11-3-1-2-6-13-11/h1-7,15-16H,(H,13,14,17)
InChIKeyZJDKNRRVXPOOCG-UHFFFAOYSA-N
XLogP1.75
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
N-(3-hydroxy-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 18109412
2-Hydroxy-N-2-pyridinylbenzamide
CID 202935
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(pyridin-2-yl)prop-2-enamide
CID 2544799
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17394922
N-(3-hydroxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 24982932
N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 24982977
3-cyclopentyloxy-4-methoxy-N-pyridin-2-yl-benzamide
CID 10380805
3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide
CID 659323

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 3,4-dihydroxy-N-pyridin-2-ylbenzamide (CID 586252) is 3,4-dihydroxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3,4-dihydroxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3,4-dihydroxy-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-pyridin-2-ylbenzamide?
The InChIKey is ZJDKNRRVXPOOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-9-5-4-8(7-10(9)16)12(17)14-11-3-1-2-6-13-11/h1-7,15-16H,(H,13,14,17).
What are the key properties of 3,4-dihydroxy-N-pyridin-2-ylbenzamide?
3,4-dihydroxy-N-pyridin-2-ylbenzamide has a molecular weight of 230.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 586252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).