2-iodo-2-pyridin-2-ylacetic acid

C7H6INO2 — CID 143887294

IUPAC2-iodo-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(I)c1ccccn1
InChIInChI=1S/C7H6INO2/c8-6(7(10)11)5-3-1-2-4-9-5/h1-4,6H,(H,10,11)
InChIKeyYBDAHASYDLAJQQ-UHFFFAOYSA-N
MW263.03 g/mol
LogP1.64
Rot. Bonds2

About 2-iodo-2-pyridin-2-ylacetic acid

2-iodo-2-pyridin-2-ylacetic acid (PubChem CID 143887294) has the molecular formula C7H6INO2 and a molecular weight of 263.03 g/mol. Its IUPAC name is 2-iodo-2-pyridin-2-ylacetic acid.

Molecular Properties

Compound Name2-iodo-2-pyridin-2-ylacetic acid
PubChem CID143887294
Molecular FormulaC7H6INO2
Molecular Weight263.03 g/mol
Exact Mass262.94
IUPAC Name2-iodo-2-pyridin-2-ylacetic acid
SMILESO=C(O)C(I)c1ccccn1
InChIInChI=1S/C7H6INO2/c8-6(7(10)11)5-3-1-2-4-9-5/h1-4,6H,(H,10,11)
InChIKeyYBDAHASYDLAJQQ-UHFFFAOYSA-N
XLogP1.64
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.03
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-iodo-2-pyridin-2-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper bis(2-hydroxy-2-oxo-1-pyridin-2-ylethanolate)
CID 134096987
2-pyridin-2-ylbutanedioic acid
CID 67462885
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
2-(2-methylphenyl)-2-pyridin-2-ylacetic acid
CID 82040348
4-hydroxy-2-pyridin-2-ylpentanoic acid
CID 24976010
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086

Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-pyridin-2-ylacetic acid?
The IUPAC name of 2-iodo-2-pyridin-2-ylacetic acid (CID 143887294) is 2-iodo-2-pyridin-2-ylacetic acid.
What is the SMILES notation for 2-iodo-2-pyridin-2-ylacetic acid?
The canonical SMILES for 2-iodo-2-pyridin-2-ylacetic acid is O=C(O)C(I)c1ccccn1.
What is the InChIKey of 2-iodo-2-pyridin-2-ylacetic acid?
The InChIKey is YBDAHASYDLAJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO2/c8-6(7(10)11)5-3-1-2-4-9-5/h1-4,6H,(H,10,11).
What are the key properties of 2-iodo-2-pyridin-2-ylacetic acid?
2-iodo-2-pyridin-2-ylacetic acid has a molecular weight of 263.03 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-pyridin-2-ylacetic acid is sourced from PubChem (CID 143887294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).