4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine

C11H5BrF4N2 — CID 107290360

IUPAC4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
SMILESFc1cc(-c2cncnc2Br)ccc1C(F)(F)F
InChIInChI=1S/C11H5BrF4N2/c12-10-7(4-17-5-18-10)6-1-2-8(9(13)3-6)11(14,15)16/h1-5H
InChIKeyAAZWARKQYLLPIQ-UHFFFAOYSA-N
MW321.07 g/mol
LogP4.06
Rot. Bonds1

About 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine

4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 107290360) has the molecular formula C11H5BrF4N2 and a molecular weight of 321.07 g/mol. Its IUPAC name is 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
PubChem CID107290360
Molecular FormulaC11H5BrF4N2
Molecular Weight321.07 g/mol
Exact Mass319.96
IUPAC Name4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine
SMILESFc1cc(-c2cncnc2Br)ccc1C(F)(F)F
InChIInChI=1S/C11H5BrF4N2/c12-10-7(4-17-5-18-10)6-1-2-8(9(13)3-6)11(14,15)16/h1-5H
InChIKeyAAZWARKQYLLPIQ-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-(3,4-dimethylphenyl)pyrimidine
CID 105371046
4-bromo-5-(trifluoromethyl)pyrimidine
CID 118816144
4-bromo-5-(4-phenylphenyl)pyrimidine
CID 105371256
4-bromo-5-(3-methylphenyl)pyrimidine
CID 105370964
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-amine
CID 71811529
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyrimidin-2-amine
CID 107290505
5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 59282961
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184445
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N,5-dimethylpyrimidin-4-amine
CID 107290483
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine (CID 107290360) is 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine is Fc1cc(-c2cncnc2Br)ccc1C(F)(F)F.
What is the InChIKey of 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is AAZWARKQYLLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF4N2/c12-10-7(4-17-5-18-10)6-1-2-8(9(13)3-6)11(14,15)16/h1-5H.
What are the key properties of 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine?
4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 321.07 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 107290360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).