4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine

C8H7ClF3IN2O — CID 66293865

IUPAC4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCOCc1nc(CC(F)(F)F)nc(Cl)c1I
InChIInChI=1S/C8H7ClF3IN2O/c1-16-3-4-6(13)7(9)15-5(14-4)2-8(10,11)12/h2-3H2,1H3
InChIKeyMNLDIVKVTPQMDO-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.99
Rot. Bonds3

About 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine

4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 66293865) has the molecular formula C8H7ClF3IN2O and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID66293865
Molecular FormulaC8H7ClF3IN2O
Molecular Weight366.51 g/mol
Exact Mass365.92
IUPAC Name4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCOCc1nc(CC(F)(F)F)nc(Cl)c1I
InChIInChI=1S/C8H7ClF3IN2O/c1-16-3-4-6(13)7(9)15-5(14-4)2-8(10,11)12/h2-3H2,1H3
InChIKeyMNLDIVKVTPQMDO-UHFFFAOYSA-N
XLogP2.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine (CID 66293865) is 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine is COCc1nc(CC(F)(F)F)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is MNLDIVKVTPQMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3IN2O/c1-16-3-4-6(13)7(9)15-5(14-4)2-8(10,11)12/h2-3H2,1H3.
What are the key properties of 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 366.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 66293865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).