5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine

C16H9BrF2N2 — CID 23443399

IUPAC5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine
SMILESFc1cccc(F)c1-c1ncc(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H9BrF2N2/c17-12-6-4-10(5-7-12)11-8-20-16(21-9-11)15-13(18)2-1-3-14(15)19/h1-9H
InChIKeyQTOAEIXFNIDVMB-UHFFFAOYSA-N
MW347.16 g/mol
LogP4.85
Rot. Bonds2

About 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine

5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine (PubChem CID 23443399) has the molecular formula C16H9BrF2N2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine
PubChem CID23443399
Molecular FormulaC16H9BrF2N2
Molecular Weight347.16 g/mol
Exact Mass345.99
IUPAC Name5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine
SMILESFc1cccc(F)c1-c1ncc(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H9BrF2N2/c17-12-6-4-10(5-7-12)11-8-20-16(21-9-11)15-13(18)2-1-3-14(15)19/h1-9H
InChIKeyQTOAEIXFNIDVMB-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(4-bromophenyl)pyrimidine
CID 14089893
2-(3,5-difluoro-4-methylphenyl)-5-(4-methylphenyl)pyrimidine
CID 20683281
3,6-bis(2,6-difluorophenyl)-1,2,4,5-tetrazine
CID 23362742
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-[3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057819
3-(4-bromophenyl)-4-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 43335687
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
5-(2,6-difluorophenyl)-2-ethylpyridine
CID 171801039
3-(2,6-difluorophenyl)-6-[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,4-triazine
CID 11774651
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine (CID 23443399) is 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine is Fc1cccc(F)c1-c1ncc(-c2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine?
The InChIKey is QTOAEIXFNIDVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2/c17-12-6-4-10(5-7-12)11-8-20-16(21-9-11)15-13(18)2-1-3-14(15)19/h1-9H.
What are the key properties of 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine?
5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine has a molecular weight of 347.16 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(2,6-difluorophenyl)pyrimidine is sourced from PubChem (CID 23443399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).