2-chloro-5-fluoropyrimidine;ethane

C6H8ClFN2 — CID 145121431

IUPAC2-chloro-5-fluoropyrimidine;ethane
SMILESCC.Fc1cnc(Cl)nc1
InChIInChI=1S/C4H2ClFN2.C2H6/c5-4-7-1-3(6)2-8-4;1-2/h1-2H;1-2H3
InChIKeyABQPGBSQYUOCGE-UHFFFAOYSA-N
MW162.60 g/mol
LogP2.30
Rot. Bonds

About 2-chloro-5-fluoropyrimidine;ethane

2-chloro-5-fluoropyrimidine;ethane (PubChem CID 145121431) has the molecular formula C6H8ClFN2 and a molecular weight of 162.60 g/mol. Its IUPAC name is 2-chloro-5-fluoropyrimidine;ethane.

Molecular Properties

Compound Name2-chloro-5-fluoropyrimidine;ethane
PubChem CID145121431
Molecular FormulaC6H8ClFN2
Molecular Weight162.60 g/mol
Exact Mass162.04
IUPAC Name2-chloro-5-fluoropyrimidine;ethane
SMILESCC.Fc1cnc(Cl)nc1
InChIInChI=1S/C4H2ClFN2.C2H6/c5-4-7-1-3(6)2-8-4;1-2/h1-2H;1-2H3
InChIKeyABQPGBSQYUOCGE-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.60
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyrimidine;ethane?
The IUPAC name of 2-chloro-5-fluoropyrimidine;ethane (CID 145121431) is 2-chloro-5-fluoropyrimidine;ethane.
What is the SMILES notation for 2-chloro-5-fluoropyrimidine;ethane?
The canonical SMILES for 2-chloro-5-fluoropyrimidine;ethane is CC.Fc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-fluoropyrimidine;ethane?
The InChIKey is ABQPGBSQYUOCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFN2.C2H6/c5-4-7-1-3(6)2-8-4;1-2/h1-2H;1-2H3.
What are the key properties of 2-chloro-5-fluoropyrimidine;ethane?
2-chloro-5-fluoropyrimidine;ethane has a molecular weight of 162.60 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyrimidine;ethane is sourced from PubChem (CID 145121431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).