2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide

C13H10N2O4 — CID 141115220

IUPAC2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide
SMILESNC(=O)c1cc(C(=O)c2ccncc2)cc(O)c1O
InChIInChI=1S/C13H10N2O4/c14-13(19)9-5-8(6-10(16)12(9)18)11(17)7-1-3-15-4-2-7/h1-6,16,18H,(H2,14,19)
InChIKeyQDFNGNAIXPNSPC-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.82
Rot. Bonds3

About 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide

2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide (PubChem CID 141115220) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide
PubChem CID141115220
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide
SMILESNC(=O)c1cc(C(=O)c2ccncc2)cc(O)c1O
InChIInChI=1S/C13H10N2O4/c14-13(19)9-5-8(6-10(16)12(9)18)11(17)7-1-3-15-4-2-7/h1-6,16,18H,(H2,14,19)
InChIKeyQDFNGNAIXPNSPC-UHFFFAOYSA-N
XLogP0.82
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
4-(pyridine-4-carbonyl)benzenesulfonamide
CID 23274879
2,4-dihydroxybenzamide;pyridine
CID 70617308
propan-2-one;pyridine-4-carboxamide
CID 174689468
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
(2,3-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 14094133
(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
CID 69388421
(2,3,4,5,6-pentahydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 146549793
pyridine-4-carboxamide;2,4,5-trifluorobenzoic acid
CID 139184205
benzamide;pyridine-4-carboxamide
CID 175267661

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide?
The IUPAC name of 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide (CID 141115220) is 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide?
The canonical SMILES for 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide is NC(=O)c1cc(C(=O)c2ccncc2)cc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide?
The InChIKey is QDFNGNAIXPNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c14-13(19)9-5-8(6-10(16)12(9)18)11(17)7-1-3-15-4-2-7/h1-6,16,18H,(H2,14,19).
What are the key properties of 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide?
2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide has a molecular weight of 258.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide is sourced from PubChem (CID 141115220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).