5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid

C14H11IN2O4 — CID 107731417

IUPAC5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(I)ccc2O)cn1
InChIInChI=1S/C14H11IN2O4/c15-9-2-4-12(18)10(5-9)13(19)17-7-8-1-3-11(14(20)21)16-6-8/h1-6,18H,7H2,(H,17,19)(H,20,21)
InChIKeyCWYSMNMTEKOVBH-UHFFFAOYSA-N
MW398.16 g/mol
LogP2.02
Rot. Bonds4

About 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 107731417) has the molecular formula C14H11IN2O4 and a molecular weight of 398.16 g/mol. Its IUPAC name is 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID107731417
Molecular FormulaC14H11IN2O4
Molecular Weight398.16 g/mol
Exact Mass397.98
IUPAC Name5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(I)ccc2O)cn1
InChIInChI=1S/C14H11IN2O4/c15-9-2-4-12(18)10(5-9)13(19)17-7-8-1-3-11(14(20)21)16-6-8/h1-6,18H,7H2,(H,17,19)(H,20,21)
InChIKeyCWYSMNMTEKOVBH-UHFFFAOYSA-N
XLogP2.02
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.16
LogP ≤ 52.02
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

N-[(4-fluorophenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 27256756
2-hydroxy-5-iodo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385091
5-[[(2-fluoro-6-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107013740
5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 114368194
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
5-[[(3-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099820
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
5-[[(4-bromo-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091927
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid (CID 107731417) is 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2cc(I)ccc2O)cn1.
What is the InChIKey of 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is CWYSMNMTEKOVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O4/c15-9-2-4-12(18)10(5-9)13(19)17-7-8-1-3-11(14(20)21)16-6-8/h1-6,18H,7H2,(H,17,19)(H,20,21).
What are the key properties of 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 398.16 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 107731417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).