4-iodopyridine-3-carboxylic acid

C6H4INO2 — CID 818279

IUPAC4-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1I
InChIInChI=1S/C6H4INO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
InChIKeyXAPIMMBHYWWKAE-UHFFFAOYSA-N
MW249.01 g/mol
LogP1.38
Rot. Bonds1

About 4-iodopyridine-3-carboxylic acid

4-iodopyridine-3-carboxylic acid (PubChem CID 818279) has the molecular formula C6H4INO2 and a molecular weight of 249.01 g/mol. Its IUPAC name is 4-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-iodopyridine-3-carboxylic acid
PubChem CID818279
Molecular FormulaC6H4INO2
Molecular Weight249.01 g/mol
Exact Mass248.93
IUPAC Name4-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1I
InChIInChI=1S/C6H4INO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)
InChIKeyXAPIMMBHYWWKAE-UHFFFAOYSA-N
XLogP1.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
4-fluoropyridine-3-carboxylic acid
CID 2762936
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-acetylpyridine-4-carboxylic acid
CID 19902844
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
4-(2-iodoethyl)pyridine-3-carboxylic acid
CID 174800330
pyridine-2,6-dicarboxylic acid;pyridine-3,4-dicarboxylic acid
CID 161251773
4-(4-fluorobenzoyl)pyridine-3-carboxylic acid
CID 10752867
4-amino-5-iodopyridine-3-carboxylic acid
CID 71055662
4-(methyldisulfanyl)pyridine-3-carboxylic acid
CID 135338592
4-[(E)-2-carboxyethenyl]pyridine-3-carboxylic acid
CID 131232837
4-propylpyridine-3-carboxylic acid
CID 21413297

Frequently Asked Questions

What is the IUPAC name of 4-iodopyridine-3-carboxylic acid?
The IUPAC name of 4-iodopyridine-3-carboxylic acid (CID 818279) is 4-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 4-iodopyridine-3-carboxylic acid?
The canonical SMILES for 4-iodopyridine-3-carboxylic acid is O=C(O)c1cnccc1I.
What is the InChIKey of 4-iodopyridine-3-carboxylic acid?
The InChIKey is XAPIMMBHYWWKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4INO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10).
What are the key properties of 4-iodopyridine-3-carboxylic acid?
4-iodopyridine-3-carboxylic acid has a molecular weight of 249.01 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 818279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).