6-iodo-5-methylpyrimidine-4-carbonyl iodide

C6H4I2N2O — CID 163594114

IUPAC6-iodo-5-methylpyrimidine-4-carbonyl iodide
SMILESCc1c(I)ncnc1C(=O)I
InChIInChI=1S/C6H4I2N2O/c1-3-4(6(8)11)9-2-10-5(3)7/h2H,1H3
InChIKeyGRYKNMSBYPDTNC-UHFFFAOYSA-N
MW373.92 g/mol
LogP1.96
Rot. Bonds1

About 6-iodo-5-methylpyrimidine-4-carbonyl iodide

6-iodo-5-methylpyrimidine-4-carbonyl iodide (PubChem CID 163594114) has the molecular formula C6H4I2N2O and a molecular weight of 373.92 g/mol. Its IUPAC name is 6-iodo-5-methylpyrimidine-4-carbonyl iodide.

Molecular Properties

Compound Name6-iodo-5-methylpyrimidine-4-carbonyl iodide
PubChem CID163594114
Molecular FormulaC6H4I2N2O
Molecular Weight373.92 g/mol
Exact Mass373.84
IUPAC Name6-iodo-5-methylpyrimidine-4-carbonyl iodide
SMILESCc1c(I)ncnc1C(=O)I
InChIInChI=1S/C6H4I2N2O/c1-3-4(6(8)11)9-2-10-5(3)7/h2H,1H3
InChIKeyGRYKNMSBYPDTNC-UHFFFAOYSA-N
XLogP1.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-iodo-6-methylpyrimidine
CID 118072252
N-[6-iodo-5-(iodoamino)pyrimidin-4-yl]acetamide
CID 143245803
pyrimidine-4,6-dicarbonyl iodide
CID 149078134
6-methylpyrimidine-4,5-dicarboxylic acid
CID 90696614
4-chloro-2-iodo-3-methylpyridine
CID 118845264
(6-methoxycarbonyl-5-methylpyrimidin-4-yl)methylideneytterbium
CID 59460701
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
6-methyl-1,2,4-triazine-5-carboxylic acid
CID 83635324
2-(4,6-dimethylpyrimidin-5-yl)acetamide
CID 130683923
4-iodo-3,5-dimethylpyridine-2,6-dicarboxylic acid
CID 137422664
methyl 6-amino-5-chloropyrimidine-4-carboxylate
CID 118996637
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methylpyrimidine-4-carbonyl iodide?
The IUPAC name of 6-iodo-5-methylpyrimidine-4-carbonyl iodide (CID 163594114) is 6-iodo-5-methylpyrimidine-4-carbonyl iodide.
What is the SMILES notation for 6-iodo-5-methylpyrimidine-4-carbonyl iodide?
The canonical SMILES for 6-iodo-5-methylpyrimidine-4-carbonyl iodide is Cc1c(I)ncnc1C(=O)I.
What is the InChIKey of 6-iodo-5-methylpyrimidine-4-carbonyl iodide?
The InChIKey is GRYKNMSBYPDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2N2O/c1-3-4(6(8)11)9-2-10-5(3)7/h2H,1H3.
What are the key properties of 6-iodo-5-methylpyrimidine-4-carbonyl iodide?
6-iodo-5-methylpyrimidine-4-carbonyl iodide has a molecular weight of 373.92 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methylpyrimidine-4-carbonyl iodide is sourced from PubChem (CID 163594114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).