2,4-dichloro-5-fluoro-1H-pyrimidin-6-one

C4HCl2FN2O — CID 137121898

IUPAC2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)nc(Cl)c1F
InChIInChI=1S/C4HCl2FN2O/c5-2-1(7)3(10)9-4(6)8-2/h(H,8,9,10)
InChIKeyFWVGJIPUQYIDBE-UHFFFAOYSA-N
MW182.97 g/mol
LogP1.22
Rot. Bonds

About 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one

2,4-dichloro-5-fluoro-1H-pyrimidin-6-one (PubChem CID 137121898) has the molecular formula C4HCl2FN2O and a molecular weight of 182.97 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
PubChem CID137121898
Molecular FormulaC4HCl2FN2O
Molecular Weight182.97 g/mol
Exact Mass181.94
IUPAC Name2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)nc(Cl)c1F
InChIInChI=1S/C4HCl2FN2O/c5-2-1(7)3(10)9-4(6)8-2/h(H,8,9,10)
InChIKeyFWVGJIPUQYIDBE-UHFFFAOYSA-N
XLogP1.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.97
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trichloro-1H-imidazole
CID 24357
7-bromo-2-chloro-8-fluoro-6-methyl-3H-quinazolin-4-one;ethane
CID 166162597
2,4-dichloro-5-(trifluoromethyl)-1H-imidazole
CID 609238
2,5-dichloro-4-(dimethylamino)-1H-pyrimidin-6-one
CID 153387338
5-fluoro-2,4-dimethyl-1H-pyrimidin-6-one
CID 135416969
2-chloro-6-(4-fluorophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135967045
2-bromo-6-chloro-3,4,5-trifluoropyridine
CID 119021724
2,4-dichloro-5-nitro-1H-imidazole
CID 135400176
4,6-dichloro-7-fluoro-2H-pyrrolo[3,4-c]pyridine-1,3-diol
CID 137098282
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-chloro-1,7-dihydropurin-6-one
CID 135421792
3,5-dichloro-4,6-difluoro-1H-pyridin-2-one
CID 23233896

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one (CID 137121898) is 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one is O=c1[nH]c(Cl)nc(Cl)c1F.
What is the InChIKey of 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is FWVGJIPUQYIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2FN2O/c5-2-1(7)3(10)9-4(6)8-2/h(H,8,9,10).
What are the key properties of 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one?
2,4-dichloro-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 182.97 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 137121898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).