methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate

C6H3F2IN2O2 — CID 164652073

IUPACmethyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(F)c(I)c(F)n1
InChIInChI=1S/C6H3F2IN2O2/c1-13-6(12)5-10-3(7)2(9)4(8)11-5/h1H3
InChIKeyLMWKKCIYCODLMM-UHFFFAOYSA-N
MW300.00 g/mol
LogP1.15
Rot. Bonds1

About methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate

methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate (PubChem CID 164652073) has the molecular formula C6H3F2IN2O2 and a molecular weight of 300.00 g/mol. Its IUPAC name is methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate
PubChem CID164652073
Molecular FormulaC6H3F2IN2O2
Molecular Weight300.00 g/mol
Exact Mass299.92
IUPAC Namemethyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(F)c(I)c(F)n1
InChIInChI=1S/C6H3F2IN2O2/c1-13-6(12)5-10-3(7)2(9)4(8)11-5/h1H3
InChIKeyLMWKKCIYCODLMM-UHFFFAOYSA-N
XLogP1.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.00
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate?
The IUPAC name of methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate (CID 164652073) is methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate?
The canonical SMILES for methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate is COC(=O)c1nc(F)c(I)c(F)n1.
What is the InChIKey of methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate?
The InChIKey is LMWKKCIYCODLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2IN2O2/c1-13-6(12)5-10-3(7)2(9)4(8)11-5/h1H3.
What are the key properties of methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate?
methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate has a molecular weight of 300.00 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-difluoro-5-iodopyrimidine-2-carboxylate is sourced from PubChem (CID 164652073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).