5-chloro-4-iodo-6-methylpyrimidine

C5H4ClIN2 — CID 118072252

IUPAC5-chloro-4-iodo-6-methylpyrimidine
SMILESCc1ncnc(I)c1Cl
InChIInChI=1S/C5H4ClIN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
InChIKeyYYNFYUMCULKGQW-UHFFFAOYSA-N
MW254.46 g/mol
LogP2.04
Rot. Bonds

About 5-chloro-4-iodo-6-methylpyrimidine

5-chloro-4-iodo-6-methylpyrimidine (PubChem CID 118072252) has the molecular formula C5H4ClIN2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 5-chloro-4-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-iodo-6-methylpyrimidine
PubChem CID118072252
Molecular FormulaC5H4ClIN2
Molecular Weight254.46 g/mol
Exact Mass253.91
IUPAC Name5-chloro-4-iodo-6-methylpyrimidine
SMILESCc1ncnc(I)c1Cl
InChIInChI=1S/C5H4ClIN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
InChIKeyYYNFYUMCULKGQW-UHFFFAOYSA-N
XLogP2.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
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 5-chloro-4-iodo-6-methylpyrimidine?
The IUPAC name of 5-chloro-4-iodo-6-methylpyrimidine (CID 118072252) is 5-chloro-4-iodo-6-methylpyrimidine.
What is the SMILES notation for 5-chloro-4-iodo-6-methylpyrimidine?
The canonical SMILES for 5-chloro-4-iodo-6-methylpyrimidine is Cc1ncnc(I)c1Cl.
What is the InChIKey of 5-chloro-4-iodo-6-methylpyrimidine?
The InChIKey is YYNFYUMCULKGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClIN2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3.
What are the key properties of 5-chloro-4-iodo-6-methylpyrimidine?
5-chloro-4-iodo-6-methylpyrimidine has a molecular weight of 254.46 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-6-methylpyrimidine is sourced from PubChem (CID 118072252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).