2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine

C11H6ClF3N2 — CID 141428073

IUPAC2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H6ClF3N2/c12-8-3-1-2-7(6-8)10-16-5-4-9(17-10)11(13,14)15/h1-6H
InChIKeyHROWWKHFDWJZNW-UHFFFAOYSA-N
MW258.63 g/mol
LogP3.82
Rot. Bonds1

About 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine

2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine (PubChem CID 141428073) has the molecular formula C11H6ClF3N2 and a molecular weight of 258.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
PubChem CID141428073
Molecular FormulaC11H6ClF3N2
Molecular Weight258.63 g/mol
Exact Mass258.02
IUPAC Name2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H6ClF3N2/c12-8-3-1-2-7(6-8)10-16-5-4-9(17-10)11(13,14)15/h1-6H
InChIKeyHROWWKHFDWJZNW-UHFFFAOYSA-N
XLogP3.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319315
4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine
CID 62747062
2-chloro-5-[4-(trifluoromethyl)pyrimidin-2-yl]benzoyl chloride
CID 90329250
4-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319084
5-(bromomethyl)-2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 114205631
2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468773
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
4-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 55114299
3-(4-tert-butylpyrimidin-2-yl)benzoic acid
CID 116900113
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 21025867
4-(2,4-dichlorophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 91926431

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine (CID 141428073) is 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is HROWWKHFDWJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2/c12-8-3-1-2-7(6-8)10-16-5-4-9(17-10)11(13,14)15/h1-6H.
What are the key properties of 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine?
2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 258.63 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 141428073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).