2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine

C11H5BrClF3N2 — CID 91620563

IUPAC2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H5BrClF3N2/c12-7-3-1-6(2-4-7)10-17-8(11(14,15)16)5-9(13)18-10/h1-5H
InChIKeyOSVKBGLIQMHTPN-UHFFFAOYSA-N
MW337.53 g/mol
LogP4.58
Rot. Bonds1

About 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine

2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 91620563) has the molecular formula C11H5BrClF3N2 and a molecular weight of 337.53 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID91620563
Molecular FormulaC11H5BrClF3N2
Molecular Weight337.53 g/mol
Exact Mass335.93
IUPAC Name2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C11H5BrClF3N2/c12-7-3-1-6(2-4-7)10-17-8(11(14,15)16)5-9(13)18-10/h1-5H
InChIKeyOSVKBGLIQMHTPN-UHFFFAOYSA-N
XLogP4.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
CID 43557541
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
CID 43557554
4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91926144
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
2-(4-bromophenyl)-6-tert-butylpyrimidin-4-amine
CID 62191727
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
4-chloro-2-[6-(2-methylphenyl)-2-pyridinyl]-6-(trifluoromethyl)pyrimidine
CID 15729711
2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine
CID 159614211

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine (CID 91620563) is 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Cl)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is OSVKBGLIQMHTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3N2/c12-7-3-1-6(2-4-7)10-17-8(11(14,15)16)5-9(13)18-10/h1-5H.
What are the key properties of 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine?
2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 337.53 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91620563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).