2,4,6-trichloro-5-iodopyrimidine

C4Cl3IN2 — CID 53415881

IUPAC2,4,6-trichloro-5-iodopyrimidine
SMILESClc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C4Cl3IN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKeyMFBKQYDNIUTLRN-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.04
Rot. Bonds

About 2,4,6-trichloro-5-iodopyrimidine

2,4,6-trichloro-5-iodopyrimidine (PubChem CID 53415881) has the molecular formula C4Cl3IN2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2,4,6-trichloro-5-iodopyrimidine.

Molecular Properties

Compound Name2,4,6-trichloro-5-iodopyrimidine
PubChem CID53415881
Molecular FormulaC4Cl3IN2
Molecular Weight309.32 g/mol
Exact Mass307.82
IUPAC Name2,4,6-trichloro-5-iodopyrimidine
SMILESClc1nc(Cl)c(I)c(Cl)n1
InChIInChI=1S/C4Cl3IN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKeyMFBKQYDNIUTLRN-UHFFFAOYSA-N
XLogP3.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,5,6-Tetrachloropyrimidine
CID 15690
2,4,6-Trichloro-5-methylpyrimidine
CID 232789
Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
5-Bromo-4,6-dichloropyrimidin-2-amine
CID 618288
5-Bromo-2,4,6-trichloropyrimidine
CID 12369426
4,6-Dichloro-5-fluoropyrimidin-2-amine
CID 15221577
6-Chloro-5-iodopyrimidin-4-amine
CID 46855833
4,6-Dichloro-2-iodopyrimidine
CID 88282858
4,5,6-Trichloropyrimidin-2-amine
CID 345630
4,5,6-Trichloropyrimidine-2-carbonitrile
CID 10703605
2,4,6-Trichloro-5-fluoropyrimidine
CID 13388993
4,6-Dichloro-5-iodo-2-(methylsulfanyl)pyrimidine
CID 59405055

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-iodopyrimidine?
The IUPAC name of 2,4,6-trichloro-5-iodopyrimidine (CID 53415881) is 2,4,6-trichloro-5-iodopyrimidine.
What is the SMILES notation for 2,4,6-trichloro-5-iodopyrimidine?
The canonical SMILES for 2,4,6-trichloro-5-iodopyrimidine is Clc1nc(Cl)c(I)c(Cl)n1.
What is the InChIKey of 2,4,6-trichloro-5-iodopyrimidine?
The InChIKey is MFBKQYDNIUTLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3IN2/c5-2-1(8)3(6)10-4(7)9-2.
What are the key properties of 2,4,6-trichloro-5-iodopyrimidine?
2,4,6-trichloro-5-iodopyrimidine has a molecular weight of 309.32 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-iodopyrimidine is sourced from PubChem (CID 53415881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).