2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine

C12H7ClF4N2 — CID 170925615

IUPAC2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H7ClF4N2/c1-6-9(5-18-11(13)19-6)8-3-2-7(4-10(8)14)12(15,16)17/h2-5H,1H3
InChIKeyIFNOYNIZDVUPAJ-UHFFFAOYSA-N
MW290.65 g/mol
LogP4.26
Rot. Bonds1

About 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine

2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine (PubChem CID 170925615) has the molecular formula C12H7ClF4N2 and a molecular weight of 290.65 g/mol. Its IUPAC name is 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
PubChem CID170925615
Molecular FormulaC12H7ClF4N2
Molecular Weight290.65 g/mol
Exact Mass290.02
IUPAC Name2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1-c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H7ClF4N2/c1-6-9(5-18-11(13)19-6)8-3-2-7(4-10(8)14)12(15,16)17/h2-5H,1H3
InChIKeyIFNOYNIZDVUPAJ-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.65
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine?
The IUPAC name of 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine (CID 170925615) is 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine.
What is the SMILES notation for 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine?
The canonical SMILES for 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine is Cc1nc(Cl)ncc1-c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine?
The InChIKey is IFNOYNIZDVUPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF4N2/c1-6-9(5-18-11(13)19-6)8-3-2-7(4-10(8)14)12(15,16)17/h2-5H,1H3.
What are the key properties of 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine?
2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine has a molecular weight of 290.65 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine is sourced from PubChem (CID 170925615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).