6-chloro-5-fluoro-1H-pyrimidin-2-one

C4H2ClFN2O — CID 13061624

IUPAC6-chloro-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(Cl)[nH]1
InChIInChI=1S/C4H2ClFN2O/c5-3-2(6)1-7-4(9)8-3/h1H,(H,7,8,9)
InChIKeyDDNCSZUKPVXJAW-UHFFFAOYSA-N
MW148.52 g/mol
LogP0.56
Rot. Bonds

About 6-chloro-5-fluoro-1H-pyrimidin-2-one

6-chloro-5-fluoro-1H-pyrimidin-2-one (PubChem CID 13061624) has the molecular formula C4H2ClFN2O and a molecular weight of 148.52 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-5-fluoro-1H-pyrimidin-2-one
PubChem CID13061624
Molecular FormulaC4H2ClFN2O
Molecular Weight148.52 g/mol
Exact Mass147.98
IUPAC Name6-chloro-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(Cl)[nH]1
InChIInChI=1S/C4H2ClFN2O/c5-3-2(6)1-7-4(9)8-3/h1H,(H,7,8,9)
InChIKeyDDNCSZUKPVXJAW-UHFFFAOYSA-N
XLogP0.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.52
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-5-fluoro-1H-pyrimidin-2-one (CID 13061624) is 6-chloro-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-5-fluoro-1H-pyrimidin-2-one is O=c1ncc(F)c(Cl)[nH]1.
What is the InChIKey of 6-chloro-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is DDNCSZUKPVXJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2O/c5-3-2(6)1-7-4(9)8-3/h1H,(H,7,8,9).
What are the key properties of 6-chloro-5-fluoro-1H-pyrimidin-2-one?
6-chloro-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 148.52 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 13061624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).