5-chloro-2,4-difluoropyrimidine

C4HClF2N2 — CID 591662

IUPAC5-chloro-2,4-difluoropyrimidine
SMILESFc1ncc(Cl)c(F)n1
InChIInChI=1S/C4HClF2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKeyXZSZSTCLQANXKU-UHFFFAOYSA-N
MW150.52 g/mol
LogP1.41
Rot. Bonds

About 5-chloro-2,4-difluoropyrimidine

5-chloro-2,4-difluoropyrimidine (PubChem CID 591662) has the molecular formula C4HClF2N2 and a molecular weight of 150.52 g/mol. Its IUPAC name is 5-chloro-2,4-difluoropyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-difluoropyrimidine
PubChem CID591662
Molecular FormulaC4HClF2N2
Molecular Weight150.52 g/mol
Exact Mass149.98
IUPAC Name5-chloro-2,4-difluoropyrimidine
SMILESFc1ncc(Cl)c(F)n1
InChIInChI=1S/C4HClF2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKeyXZSZSTCLQANXKU-UHFFFAOYSA-N
XLogP1.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.52
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoropyrimidine?
The IUPAC name of 5-chloro-2,4-difluoropyrimidine (CID 591662) is 5-chloro-2,4-difluoropyrimidine.
What is the SMILES notation for 5-chloro-2,4-difluoropyrimidine?
The canonical SMILES for 5-chloro-2,4-difluoropyrimidine is Fc1ncc(Cl)c(F)n1.
What is the InChIKey of 5-chloro-2,4-difluoropyrimidine?
The InChIKey is XZSZSTCLQANXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF2N2/c5-2-1-8-4(7)9-3(2)6/h1H.
What are the key properties of 5-chloro-2,4-difluoropyrimidine?
5-chloro-2,4-difluoropyrimidine has a molecular weight of 150.52 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoropyrimidine is sourced from PubChem (CID 591662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).