4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine

C11H6BrF3N2O — CID 105370928

IUPAC4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccccc1-c1cncnc1Br
InChIInChI=1S/C11H6BrF3N2O/c12-10-8(5-16-6-17-10)7-3-1-2-4-9(7)18-11(13,14)15/h1-6H
InChIKeyVLZAINRYFJRTMW-UHFFFAOYSA-N
MW319.08 g/mol
LogP3.80
Rot. Bonds2

About 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine

4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 105370928) has the molecular formula C11H6BrF3N2O and a molecular weight of 319.08 g/mol. Its IUPAC name is 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID105370928
Molecular FormulaC11H6BrF3N2O
Molecular Weight319.08 g/mol
Exact Mass317.96
IUPAC Name4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccccc1-c1cncnc1Br
InChIInChI=1S/C11H6BrF3N2O/c12-10-8(5-16-6-17-10)7-3-1-2-4-9(7)18-11(13,14)15/h1-6H
InChIKeyVLZAINRYFJRTMW-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.08
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442
3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134621239
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
5,6-bis[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 134629098
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 133089361

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine (CID 105370928) is 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine is FC(F)(F)Oc1ccccc1-c1cncnc1Br.
What is the InChIKey of 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is VLZAINRYFJRTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N2O/c12-10-8(5-16-6-17-10)7-3-1-2-4-9(7)18-11(13,14)15/h1-6H.
What are the key properties of 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine?
4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 319.08 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 105370928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).