2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid

C13H9IN2O4 — CID 81445870

IUPAC2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
SMILESO=C(Nc1ccc(I)cc1C(=O)O)c1ccncc1O
InChIInChI=1S/C13H9IN2O4/c14-7-1-2-10(9(5-7)13(19)20)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyNYXIVCIALDZNQH-UHFFFAOYSA-N
MW384.13 g/mol
LogP2.34
Rot. Bonds3

About 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid

2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid (PubChem CID 81445870) has the molecular formula C13H9IN2O4 and a molecular weight of 384.13 g/mol. Its IUPAC name is 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
PubChem CID81445870
Molecular FormulaC13H9IN2O4
Molecular Weight384.13 g/mol
Exact Mass383.96
IUPAC Name2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
SMILESO=C(Nc1ccc(I)cc1C(=O)O)c1ccncc1O
InChIInChI=1S/C13H9IN2O4/c14-7-1-2-10(9(5-7)13(19)20)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyNYXIVCIALDZNQH-UHFFFAOYSA-N
XLogP2.34
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.13
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445608
3-hydroxy-N-(5-iodo-2-pyridinyl)pyridine-4-carboxamide
CID 81443318
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 81445783
2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255
N-(2,4-dibromophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442512
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid?
The IUPAC name of 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid (CID 81445870) is 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid is O=C(Nc1ccc(I)cc1C(=O)O)c1ccncc1O.
What is the InChIKey of 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid?
The InChIKey is NYXIVCIALDZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2O4/c14-7-1-2-10(9(5-7)13(19)20)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid?
2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid has a molecular weight of 384.13 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid is sourced from PubChem (CID 81445870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).