6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one

C6H5ClFIN2O — CID 114584025

IUPAC6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCF
InChIInChI=1S/C6H5ClFIN2O/c7-5-4(9)6(12)11(2-1-8)3-10-5/h3H,1-2H2
InChIKeyIMFVEWSNFUNHAX-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.47
Rot. Bonds2

About 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one

6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one (PubChem CID 114584025) has the molecular formula C6H5ClFIN2O and a molecular weight of 302.47 g/mol. Its IUPAC name is 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one
PubChem CID114584025
Molecular FormulaC6H5ClFIN2O
Molecular Weight302.47 g/mol
Exact Mass301.91
IUPAC Name6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCF
InChIInChI=1S/C6H5ClFIN2O/c7-5-4(9)6(12)11(2-1-8)3-10-5/h3H,1-2H2
InChIKeyIMFVEWSNFUNHAX-UHFFFAOYSA-N
XLogP1.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-Difluoroethyl)-5-iodopyrimidin-4-one
CID 66308633
5-Iodo-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 66309063
3-(2-Fluoroethyl)-5-iodopyrimidin-4-one
CID 80694477
3-(3-Fluoropropyl)-5-iodopyrimidin-4-one
CID 81113660
6-Chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582055
6-Chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582209
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
6-Chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582396
5,6-Dichloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114583076
5,6-Dichloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583172
5,6-Dichloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114583250
5-Bromo-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114583599

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one (CID 114584025) is 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one is O=c1c(I)c(Cl)ncn1CCF.
What is the InChIKey of 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
The InChIKey is IMFVEWSNFUNHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFIN2O/c7-5-4(9)6(12)11(2-1-8)3-10-5/h3H,1-2H2.
What are the key properties of 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one?
6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one has a molecular weight of 302.47 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 114584025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).