6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one

C7H7ClFIN2O — CID 114584106

IUPAC6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCCF
InChIInChI=1S/C7H7ClFIN2O/c8-6-5(10)7(13)12(4-11-6)3-1-2-9/h4H,1-3H2
InChIKeyMXTCDWDWVHCYLP-UHFFFAOYSA-N
MW316.50 g/mol
LogP1.86
Rot. Bonds3

About 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one

6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one (PubChem CID 114584106) has the molecular formula C7H7ClFIN2O and a molecular weight of 316.50 g/mol. Its IUPAC name is 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one
PubChem CID114584106
Molecular FormulaC7H7ClFIN2O
Molecular Weight316.50 g/mol
Exact Mass315.93
IUPAC Name6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCCF
InChIInChI=1S/C7H7ClFIN2O/c8-6-5(10)7(13)12(4-11-6)3-1-2-9/h4H,1-3H2
InChIKeyMXTCDWDWVHCYLP-UHFFFAOYSA-N
XLogP1.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 51.86
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

5-Iodo-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 66309502
3-(2-Fluoroethyl)-5-iodopyrimidin-4-one
CID 80694477
3-(3-Fluoropropyl)-5-iodopyrimidin-4-one
CID 81113660
6-Chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582043
6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
6-Chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582396
5,6-Dichloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582912
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-(3-fluoropropyl)pyrimidin-4-one
CID 114583676
6-Chloro-5-iodo-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114583765
6-Chloro-5-iodo-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114583777

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one (CID 114584106) is 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one is O=c1c(I)c(Cl)ncn1CCCF.
What is the InChIKey of 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one?
The InChIKey is MXTCDWDWVHCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFIN2O/c8-6-5(10)7(13)12(4-11-6)3-1-2-9/h4H,1-3H2.
What are the key properties of 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one?
6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one has a molecular weight of 316.50 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-fluoropropyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 114584106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).