5-chloro-4,6-difluoro-1H-pyrimidin-2-one

C4HClF2N2O — CID 118548236

IUPAC5-chloro-4,6-difluoro-1H-pyrimidin-2-one
SMILESO=c1nc(F)c(Cl)c(F)[nH]1
InChIInChI=1S/C4HClF2N2O/c5-1-2(6)8-4(10)9-3(1)7/h(H,8,9,10)
InChIKeyKGKJVFZWIGNXTI-UHFFFAOYSA-N
MW166.51 g/mol
LogP0.70
Rot. Bonds

About 5-chloro-4,6-difluoro-1H-pyrimidin-2-one

5-chloro-4,6-difluoro-1H-pyrimidin-2-one (PubChem CID 118548236) has the molecular formula C4HClF2N2O and a molecular weight of 166.51 g/mol. Its IUPAC name is 5-chloro-4,6-difluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-chloro-4,6-difluoro-1H-pyrimidin-2-one
PubChem CID118548236
Molecular FormulaC4HClF2N2O
Molecular Weight166.51 g/mol
Exact Mass165.97
IUPAC Name5-chloro-4,6-difluoro-1H-pyrimidin-2-one
SMILESO=c1nc(F)c(Cl)c(F)[nH]1
InChIInChI=1S/C4HClF2N2O/c5-1-2(6)8-4(10)9-3(1)7/h(H,8,9,10)
InChIKeyKGKJVFZWIGNXTI-UHFFFAOYSA-N
XLogP0.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.51
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4,6-difluoro-1H-pyridin-2-one
CID 23233896
5-chloro-2,6-difluoropyridine-3,4-diamine
CID 22284051
5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
potassium 4-amino-3,5-dichloro-6-fluoro-1H-pyridin-2-one
CID 139596617
5-chloro-4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride
CID 21405088
3,5-dichloro-2,6-difluoro-4-methylpyridine
CID 54345490
4,6-dichloro-1H-pyrimidin-2-one
CID 171036306
4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894823
2,4-dichloro-5-fluoro-1H-pyrimidin-6-one
CID 137121898
4,6-diethyl-5-fluoro-1H-pyrimidin-2-one
CID 151536836
4-fluoro-6-methoxy-3H-quinazolin-2-one
CID 70521421
4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168688905

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-difluoro-1H-pyrimidin-2-one?
The IUPAC name of 5-chloro-4,6-difluoro-1H-pyrimidin-2-one (CID 118548236) is 5-chloro-4,6-difluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-chloro-4,6-difluoro-1H-pyrimidin-2-one?
The canonical SMILES for 5-chloro-4,6-difluoro-1H-pyrimidin-2-one is O=c1nc(F)c(Cl)c(F)[nH]1.
What is the InChIKey of 5-chloro-4,6-difluoro-1H-pyrimidin-2-one?
The InChIKey is KGKJVFZWIGNXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF2N2O/c5-1-2(6)8-4(10)9-3(1)7/h(H,8,9,10).
What are the key properties of 5-chloro-4,6-difluoro-1H-pyrimidin-2-one?
5-chloro-4,6-difluoro-1H-pyrimidin-2-one has a molecular weight of 166.51 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-difluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 118548236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).