2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine

C11H8ClFN2 — CID 79072654

IUPAC2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2/c1-7-6-14-11(12)15-10(7)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyDOWRRMVPUIWKKH-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.24
Rot. Bonds1

About 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine

2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine (PubChem CID 79072654) has the molecular formula C11H8ClFN2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
PubChem CID79072654
Molecular FormulaC11H8ClFN2
Molecular Weight222.65 g/mol
Exact Mass222.04
IUPAC Name2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2/c1-7-6-14-11(12)15-10(7)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyDOWRRMVPUIWKKH-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine (CID 79072654) is 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine is Cc1cnc(Cl)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine?
The InChIKey is DOWRRMVPUIWKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2/c1-7-6-14-11(12)15-10(7)8-2-4-9(13)5-3-8/h2-6H,1H3.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine?
2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine has a molecular weight of 222.65 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine is sourced from PubChem (CID 79072654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).