4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid

C9H8INO4 — CID 137422664

IUPAC4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
SMILESCc1c(C(=O)O)nc(C(=O)O)c(C)c1I
InChIInChI=1S/C9H8INO4/c1-3-5(10)4(2)7(9(14)15)11-6(3)8(12)13/h1-2H3,(H,12,13)(H,14,15)
InChIKeyQRFGDYFNQGDKPD-UHFFFAOYSA-N
MW321.07 g/mol
LogP1.70
Rot. Bonds2

About 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid

4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid (PubChem CID 137422664) has the molecular formula C9H8INO4 and a molecular weight of 321.07 g/mol. Its IUPAC name is 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
PubChem CID137422664
Molecular FormulaC9H8INO4
Molecular Weight321.07 g/mol
Exact Mass320.95
IUPAC Name4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
SMILESCc1c(C(=O)O)nc(C(=O)O)c(C)c1I
InChIInChI=1S/C9H8INO4/c1-3-5(10)4(2)7(9(14)15)11-6(3)8(12)13/h1-2H3,(H,12,13)(H,14,15)
InChIKeyQRFGDYFNQGDKPD-UHFFFAOYSA-N
XLogP1.70
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5,6-dimethylpyrimidine-4-carboxylic acid
CID 83858605
2-iodo-5-methyl-1H-imidazole-4-carboxylic acid
CID 22939881
3,6-dimethylpyrazine-2,5-dicarboxylic acid;dihydrochloride
CID 70617975
carboxy-(4-iodo-3,5,6-trimethyl-2-pyridinyl)carbamic acid
CID 66748317
4,5,6-trimethylpyridine-2,3-dicarboxylic acid
CID 23469808
1-(6-acetyl-3,4,5-trimethyl-2-pyridinyl)ethanone
CID 54264390
1,3,5-triiodo-2,4,6-trimethylbenzene
CID 635613
4-iodo-1-methylpyrazole-3,5-dicarboxylic acid
CID 12563626
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 69183844
1-ethyl-4,5-dimethylpyrazole-3-carboxylic acid
CID 89432142
4-chloro-5-iodo-6-methylpyrimidine-2-carboxylic acid
CID 142395215

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid (CID 137422664) is 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid is Cc1c(C(=O)O)nc(C(=O)O)c(C)c1I.
What is the InChIKey of 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid?
The InChIKey is QRFGDYFNQGDKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO4/c1-3-5(10)4(2)7(9(14)15)11-6(3)8(12)13/h1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid?
4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid has a molecular weight of 321.07 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 137422664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).