4-chloro-5-fluoro-6-iodo-2-methylpyrimidine

C5H3ClFIN2 — CID 89185996

IUPAC4-chloro-5-fluoro-6-iodo-2-methylpyrimidine
SMILESCc1nc(Cl)c(F)c(I)n1
InChIInChI=1S/C5H3ClFIN2/c1-2-9-4(6)3(7)5(8)10-2/h1H3
InChIKeySKSVHHLHXQDNRR-UHFFFAOYSA-N
MW272.45 g/mol
LogP2.18
Rot. Bonds

About 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine

4-chloro-5-fluoro-6-iodo-2-methylpyrimidine (PubChem CID 89185996) has the molecular formula C5H3ClFIN2 and a molecular weight of 272.45 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-iodo-2-methylpyrimidine
PubChem CID89185996
Molecular FormulaC5H3ClFIN2
Molecular Weight272.45 g/mol
Exact Mass271.90
IUPAC Name4-chloro-5-fluoro-6-iodo-2-methylpyrimidine
SMILESCc1nc(Cl)c(F)c(I)n1
InChIInChI=1S/C5H3ClFIN2/c1-2-9-4(6)3(7)5(8)10-2/h1H3
InChIKeySKSVHHLHXQDNRR-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 52.18
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

4,5,6-Trichloro-2-methylpyrimidine
CID 231054
2,4,6-Trichloro-5-iodopyrimidine
CID 53415881
4,6-Dichloro-2,5-dimethylpyrimidine
CID 237013
2,4,6-Trichloro-5-fluoropyrimidine
CID 13388993
4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033
4,6-Dichloro-2-ethyl-5-fluoropyrimidine
CID 55264154
6-Chloro-5-fluoro-2-methylpyrimidin-4-amine
CID 55283624
4,5,6-Trifluoro-2-methylpyrimidine
CID 58058035
4,6-Dichloro-2-ethyl-5-methylpyrimidine
CID 59943664
2,5-Difluoro-4,6-dichloropyrimidine
CID 13388992
4,5,6-Trichloro-2-ethylpyrimidine
CID 249454
4-Chloro-6-fluoro-2-methylpyrimidine
CID 165913959

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine (CID 89185996) is 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine is Cc1nc(Cl)c(F)c(I)n1.
What is the InChIKey of 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine?
The InChIKey is SKSVHHLHXQDNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClFIN2/c1-2-9-4(6)3(7)5(8)10-2/h1H3.
What are the key properties of 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine?
4-chloro-5-fluoro-6-iodo-2-methylpyrimidine has a molecular weight of 272.45 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-iodo-2-methylpyrimidine is sourced from PubChem (CID 89185996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).