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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Related Compounds

5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 170925530
5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)pyrimidin-2-amine
CID 170925598
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidin-2-amine
CID 170925579
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
2-(2-chloro-4-methoxypyrimidin-5-yl)-4-(trifluoromethyl)aniline
CID 118624047
2-chloro-5-(2-chloro-4-methoxyphenyl)-4-methylpyrimidine
CID 170925653
2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
CID 170835752
[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 21300955
chloromethane;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 159313551
2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
CID 123582186
2-chloro-5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 12056714
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312

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).