4-chloro-5-iodo-6-methylpyrimidine

C5H4ClIN2 — CID 12795369

IUPAC4-chloro-5-iodo-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1I
InChIInChI=1S/C5H4ClIN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3
InChIKeyPJJJWNAVCYJROL-UHFFFAOYSA-N
MW254.46 g/mol
LogP2.04
Rot. Bonds

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

4-chloro-5-iodo-6-methylpyrimidine (PubChem CID 12795369) has the molecular formula C5H4ClIN2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-methylpyrimidine
PubChem CID12795369
Molecular FormulaC5H4ClIN2
Molecular Weight254.46 g/mol
Exact Mass253.91
IUPAC Name4-chloro-5-iodo-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1I
InChIInChI=1S/C5H4ClIN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3
InChIKeyPJJJWNAVCYJROL-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 4-chloro-5-iodo-6-methylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-methylpyrimidine (CID 12795369) is 4-chloro-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-methylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-methylpyrimidine is Cc1ncnc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-methylpyrimidine?
The InChIKey is PJJJWNAVCYJROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClIN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3.
What are the key properties of 4-chloro-5-iodo-6-methylpyrimidine?
4-chloro-5-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 4-chloro-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 12795369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).