2-chloro-5-fluoro-1,4-dihydropyrimidine

C4H4ClFN2 — CID 129136206

IUPAC2-chloro-5-fluoro-1,4-dihydropyrimidine
SMILESFC1=CNC(Cl)=NC1
InChIInChI=1S/C4H4ClFN2/c5-4-7-1-3(6)2-8-4/h1H,2H2,(H,7,8)
InChIKeyBIHVKWOBOVJKIC-UHFFFAOYSA-N
MW134.54 g/mol
LogP1.00
Rot. Bonds

About 2-chloro-5-fluoro-1,4-dihydropyrimidine

2-chloro-5-fluoro-1,4-dihydropyrimidine (PubChem CID 129136206) has the molecular formula C4H4ClFN2 and a molecular weight of 134.54 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-1,4-dihydropyrimidine
PubChem CID129136206
Molecular FormulaC4H4ClFN2
Molecular Weight134.54 g/mol
Exact Mass134.00
IUPAC Name2-chloro-5-fluoro-1,4-dihydropyrimidine
SMILESFC1=CNC(Cl)=NC1
InChIInChI=1S/C4H4ClFN2/c5-4-7-1-3(6)2-8-4/h1H,2H2,(H,7,8)
InChIKeyBIHVKWOBOVJKIC-UHFFFAOYSA-N
XLogP1.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.54
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-1,4-dihydropyrimidine?
The IUPAC name of 2-chloro-5-fluoro-1,4-dihydropyrimidine (CID 129136206) is 2-chloro-5-fluoro-1,4-dihydropyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-1,4-dihydropyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-1,4-dihydropyrimidine is FC1=CNC(Cl)=NC1.
What is the InChIKey of 2-chloro-5-fluoro-1,4-dihydropyrimidine?
The InChIKey is BIHVKWOBOVJKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClFN2/c5-4-7-1-3(6)2-8-4/h1H,2H2,(H,7,8).
What are the key properties of 2-chloro-5-fluoro-1,4-dihydropyrimidine?
2-chloro-5-fluoro-1,4-dihydropyrimidine has a molecular weight of 134.54 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-1,4-dihydropyrimidine is sourced from PubChem (CID 129136206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).