6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one

C7H5Cl3N2O — CID 114582337

IUPAC6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C/C(Cl)=C\Cl
InChIInChI=1S/C7H5Cl3N2O/c8-2-5(9)3-12-4-11-6(10)1-7(12)13/h1-2,4H,3H2/b5-2+
InChIKeyBPNPMVMWONOLOD-GORDUTHDSA-N
MW239.49 g/mol
LogP2.22
Rot. Bonds2

About 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one

6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one (PubChem CID 114582337) has the molecular formula C7H5Cl3N2O and a molecular weight of 239.49 g/mol. Its IUPAC name is 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one
PubChem CID114582337
Molecular FormulaC7H5Cl3N2O
Molecular Weight239.49 g/mol
Exact Mass237.95
IUPAC Name6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1C/C(Cl)=C\Cl
InChIInChI=1S/C7H5Cl3N2O/c8-2-5(9)3-12-4-11-6(10)1-7(12)13/h1-2,4H,3H2/b5-2+
InChIKeyBPNPMVMWONOLOD-GORDUTHDSA-N
XLogP2.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.49
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582310
2-(1,6-Dihydro-6-oxopyrimidin-1-yl)ethyl chloride
CID 19772555
2,6-Dichloro-3-ethyl-4(3h)-pyrimidinone
CID 118483166
6-Chloro-3-(chloromethyl)pyrimidin-4-one
CID 172105815
6-Chloro-2-(chloromethyl)-3-methylpyrimidin-4-one
CID 55298019
3-(2-Chloroethyl)-6-methylpyrimidin-4-one
CID 61224367
3-[(E)-4-chlorobut-2-enyl]pyrimidin-4-one
CID 64682507
3-(4-Chlorobut-2-enyl)pyrimidin-4-one
CID 77051708
3-(2,3-Dichloroprop-2-enyl)-5-iodopyrimidin-4-one
CID 79173191
6-Chloro-3-(2,3-dichloroprop-2-enyl)-2-methylpyrimidin-4-one
CID 104939631
6-Chloro-3-(2,3-dichloroprop-2-enyl)-2-ethylpyrimidin-4-one
CID 104939633
6-Chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439751

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one (CID 114582337) is 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one is O=c1cc(Cl)ncn1C/C(Cl)=C\Cl.
What is the InChIKey of 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one?
The InChIKey is BPNPMVMWONOLOD-GORDUTHDSA-N. The full InChI is InChI=1S/C7H5Cl3N2O/c8-2-5(9)3-12-4-11-6(10)1-7(12)13/h1-2,4H,3H2/b5-2+.
What are the key properties of 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one?
6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one has a molecular weight of 239.49 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-2,3-dichloroprop-2-enyl]pyrimidin-4-one is sourced from PubChem (CID 114582337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).