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

C4H2ClFN2O — CID 137025394

IUPAC2-chloro-4-fluoro-1H-pyrimidin-6-one
SMILESO=c1cc(F)nc(Cl)[nH]1
InChIInChI=1S/C4H2ClFN2O/c5-4-7-2(6)1-3(9)8-4/h1H,(H,7,8,9)
InChIKeyFNPDDORILUEYKC-UHFFFAOYSA-N
MW148.52 g/mol
LogP0.56
Rot. Bonds

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

2-chloro-4-fluoro-1H-pyrimidin-6-one (PubChem CID 137025394) has the molecular formula C4H2ClFN2O and a molecular weight of 148.52 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-chloro-4-fluoro-1H-pyrimidin-6-one
PubChem CID137025394
Molecular FormulaC4H2ClFN2O
Molecular Weight148.52 g/mol
Exact Mass147.98
IUPAC Name2-chloro-4-fluoro-1H-pyrimidin-6-one
SMILESO=c1cc(F)nc(Cl)[nH]1
InChIInChI=1S/C4H2ClFN2O/c5-4-7-2(6)1-3(9)8-4/h1H,(H,7,8,9)
InChIKeyFNPDDORILUEYKC-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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Related Compounds

2-Amino-4-Chloro-6-Hydroxypyrimidine
CID 135403356
2-Chloro-5-fluoropyrimidin-4-ol
CID 255394
6-Amino-2-chloropyrimidin-4-OL
CID 135947952
Hydroxy-fluoropyrimidine
CID 21791026
Dihydroxy-fluor-pyrimidin
CID 129637215
6-Bromo-2-chloropyrimidin-4-ol
CID 137244871
4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 137273170
2-Chloropyrimidin-4(3H)-one
CID 13678541
2-Amino-6-fluoropyrimidin-4-ol
CID 135417083
4-Fluoro-6-hydroxypyrimidine
CID 135608329
2-Chloro-6-(trifluoromethyl)pyrimidin-4-ol
CID 136313249
2,6-Difluoropyrimidin-4(3H)-one
CID 135409861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-chloro-4-fluoro-1H-pyrimidin-6-one (CID 137025394) is 2-chloro-4-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-chloro-4-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-chloro-4-fluoro-1H-pyrimidin-6-one is O=c1cc(F)nc(Cl)[nH]1.
What is the InChIKey of 2-chloro-4-fluoro-1H-pyrimidin-6-one?
The InChIKey is FNPDDORILUEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2O/c5-4-7-2(6)1-3(9)8-4/h1H,(H,7,8,9).
What are the key properties of 2-chloro-4-fluoro-1H-pyrimidin-6-one?
2-chloro-4-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 2-chloro-4-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 137025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).