2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid

C10H11I2NO3 — CID 23352094

IUPAC2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCCCCc1[nH]c(=O)c(I)c(C(=O)O)c1I
InChIInChI=1S/C10H11I2NO3/c1-2-3-4-5-7(11)6(10(15)16)8(12)9(14)13-5/h2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyHRTRVPDAQIIYEG-UHFFFAOYSA-N
MW447.01 g/mol
LogP2.62
Rot. Bonds4

About 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid

2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 23352094) has the molecular formula C10H11I2NO3 and a molecular weight of 447.01 g/mol. Its IUPAC name is 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID23352094
Molecular FormulaC10H11I2NO3
Molecular Weight447.01 g/mol
Exact Mass446.88
IUPAC Name2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCCCCc1[nH]c(=O)c(I)c(C(=O)O)c1I
InChIInChI=1S/C10H11I2NO3/c1-2-3-4-5-7(11)6(10(15)16)8(12)9(14)13-5/h2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyHRTRVPDAQIIYEG-UHFFFAOYSA-N
XLogP2.62
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.01
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid (CID 23352094) is 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid is CCCCc1[nH]c(=O)c(I)c(C(=O)O)c1I.
What is the InChIKey of 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is HRTRVPDAQIIYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11I2NO3/c1-2-3-4-5-7(11)6(10(15)16)8(12)9(14)13-5/h2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid?
2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 447.01 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,5-diiodo-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 23352094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).