2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine

C11H8BrFN2 — CID 117224480

IUPAC2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine
SMILESFc1ccccc1Cc1ccnc(Br)n1
InChIInChI=1S/C11H8BrFN2/c12-11-14-6-5-9(15-11)7-8-3-1-2-4-10(8)13/h1-6H,7H2
InChIKeyALHHXIXETHKELY-UHFFFAOYSA-N
MW267.10 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine

2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine (PubChem CID 117224480) has the molecular formula C11H8BrFN2 and a molecular weight of 267.10 g/mol. Its IUPAC name is 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine
PubChem CID117224480
Molecular FormulaC11H8BrFN2
Molecular Weight267.10 g/mol
Exact Mass265.99
IUPAC Name2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine
SMILESFc1ccccc1Cc1ccnc(Br)n1
InChIInChI=1S/C11H8BrFN2/c12-11-14-6-5-9(15-11)7-8-3-1-2-4-10(8)13/h1-6H,7H2
InChIKeyALHHXIXETHKELY-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-[(2-fluorophenyl)methyl]pyridine
CID 86652414
2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
CID 62748248
4-bromo-6-[(2-fluorophenyl)methyl]pyrimidine
CID 121205690
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
8-bromo-2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine
CID 117137365
N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine
CID 130113665
4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80876879
4-bromo-2-[(2-fluorophenyl)methoxy]pyridine
CID 124927405
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 114771364
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 75400804

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine?
The IUPAC name of 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine (CID 117224480) is 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine?
The canonical SMILES for 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine is Fc1ccccc1Cc1ccnc(Br)n1.
What is the InChIKey of 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine?
The InChIKey is ALHHXIXETHKELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2/c12-11-14-6-5-9(15-11)7-8-3-1-2-4-10(8)13/h1-6H,7H2.
What are the key properties of 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine?
2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine has a molecular weight of 267.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 117224480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).