2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine

C11H7BrClFN2 — CID 107282777

IUPAC2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
SMILESFc1ccc(-c2nccc(CCl)n2)c(Br)c1
InChIInChI=1S/C11H7BrClFN2/c12-10-5-7(14)1-2-9(10)11-15-4-3-8(6-13)16-11/h1-5H,6H2
InChIKeyTXIQKADNRFJILF-UHFFFAOYSA-N
MW301.55 g/mol
LogP3.78
Rot. Bonds2

About 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine

2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine (PubChem CID 107282777) has the molecular formula C11H7BrClFN2 and a molecular weight of 301.55 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
PubChem CID107282777
Molecular FormulaC11H7BrClFN2
Molecular Weight301.55 g/mol
Exact Mass299.95
IUPAC Name2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
SMILESFc1ccc(-c2nccc(CCl)n2)c(Br)c1
InChIInChI=1S/C11H7BrClFN2/c12-10-5-7(14)1-2-9(10)11-15-4-3-8(6-13)16-11/h1-5H,6H2
InChIKeyTXIQKADNRFJILF-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.55
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(2-bromo-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107281505
2-[4-bromo-2-(trifluoromethyl)phenyl]-4-(chloromethyl)pyrimidine
CID 62746869
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 114016403
3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
CID 107282995
4-(chloromethyl)-2-(2-methylphenyl)pyrimidine
CID 62747241
2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine
CID 107915607
2-(2-bromo-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 107281410
4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole
CID 163752627
[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107924063
4-(chloromethyl)-2-(3-chlorophenyl)pyrimidine
CID 62747062
3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 107282997

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine (CID 107282777) is 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine is Fc1ccc(-c2nccc(CCl)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine?
The InChIKey is TXIQKADNRFJILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2/c12-10-5-7(14)1-2-9(10)11-15-4-3-8(6-13)16-11/h1-5H,6H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine?
2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine has a molecular weight of 301.55 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine is sourced from PubChem (CID 107282777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).