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

C5H2ClF2IN2O — CID 114583910

IUPAC6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1C(F)F
InChIInChI=1S/C5H2ClF2IN2O/c6-3-2(9)4(12)11(1-10-3)5(7)8/h1,5H
InChIKeyPLJIFDNXYPOQOO-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.90
Rot. Bonds1

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

6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one (PubChem CID 114583910) has the molecular formula C5H2ClF2IN2O and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one
PubChem CID114583910
Molecular FormulaC5H2ClF2IN2O
Molecular Weight306.44 g/mol
Exact Mass305.89
IUPAC Name6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1C(F)F
InChIInChI=1S/C5H2ClF2IN2O/c6-3-2(9)4(12)11(1-10-3)5(7)8/h1,5H
InChIKeyPLJIFDNXYPOQOO-UHFFFAOYSA-N
XLogP1.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.90
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

6-Chloro-5-iodo-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705731
6-Chloro-3-(difluoromethyl)pyrimidin-4(3H)-one
CID 114582186
5,6-Dichloro-3-(difluoromethyl)pyrimidin-4-one
CID 114583055
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
6-Chloro-5-iodo-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114583866
6-Chloro-3-(2,2-difluoroethyl)-5-iodopyrimidin-4-one
CID 114583931
6-Chloro-3-(2-fluoroethyl)-5-iodopyrimidin-4-one
CID 114584025
6-Chloro-5-fluoro-3-methylpyrimidin-4(3H)-one
CID 133060787
6-Chloro-5-iodo-3-methylpyrimidin-4(3H)-one
CID 114583982

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one (CID 114583910) is 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one is O=c1c(I)c(Cl)ncn1C(F)F.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one?
The InChIKey is PLJIFDNXYPOQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF2IN2O/c6-3-2(9)4(12)11(1-10-3)5(7)8/h1,5H.
What are the key properties of 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one?
6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one has a molecular weight of 306.44 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(difluoromethyl)-5-iodopyrimidin-4-one is sourced from PubChem (CID 114583910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).