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

C4H2ClFN2O — CID 137186988

IUPAC4-chloro-2-fluoro-1H-pyrimidin-6-one
SMILESO=c1cc(Cl)nc(F)[nH]1
InChIInChI=1S/C4H2ClFN2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)
InChIKeyAYWMAJNSUUBMMS-UHFFFAOYSA-N
MW148.52 g/mol
LogP0.56
Rot. Bonds

About 4-chloro-2-fluoro-1H-pyrimidin-6-one

4-chloro-2-fluoro-1H-pyrimidin-6-one (PubChem CID 137186988) has the molecular formula C4H2ClFN2O and a molecular weight of 148.52 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-2-fluoro-1H-pyrimidin-6-one
PubChem CID137186988
Molecular FormulaC4H2ClFN2O
Molecular Weight148.52 g/mol
Exact Mass147.98
IUPAC Name4-chloro-2-fluoro-1H-pyrimidin-6-one
SMILESO=c1cc(Cl)nc(F)[nH]1
InChIInChI=1S/C4H2ClFN2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)
InChIKeyAYWMAJNSUUBMMS-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 4-chloro-2-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-2-fluoro-1H-pyrimidin-6-one (CID 137186988) is 4-chloro-2-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-2-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-2-fluoro-1H-pyrimidin-6-one is O=c1cc(Cl)nc(F)[nH]1.
What is the InChIKey of 4-chloro-2-fluoro-1H-pyrimidin-6-one?
The InChIKey is AYWMAJNSUUBMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9).
What are the key properties of 4-chloro-2-fluoro-1H-pyrimidin-6-one?
4-chloro-2-fluoro-1H-pyrimidin-6-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 4-chloro-2-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 137186988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).