5-bromo-2-phenylpyrimidine

C10H7BrN2 — CID 14387745

IUPAC5-bromo-2-phenylpyrimidine
SMILESBrc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C10H7BrN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyZZKCBZDJCZZPSM-UHFFFAOYSA-N
MW235.08 g/mol
LogP2.91
Rot. Bonds1

About 5-bromo-2-phenylpyrimidine

5-bromo-2-phenylpyrimidine (PubChem CID 14387745) has the molecular formula C10H7BrN2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 5-bromo-2-phenylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-phenylpyrimidine
PubChem CID14387745
Molecular FormulaC10H7BrN2
Molecular Weight235.08 g/mol
Exact Mass233.98
IUPAC Name5-bromo-2-phenylpyrimidine
SMILESBrc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C10H7BrN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H
InChIKeyZZKCBZDJCZZPSM-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylpyrimidine?
The IUPAC name of 5-bromo-2-phenylpyrimidine (CID 14387745) is 5-bromo-2-phenylpyrimidine.
What is the SMILES notation for 5-bromo-2-phenylpyrimidine?
The canonical SMILES for 5-bromo-2-phenylpyrimidine is Brc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 5-bromo-2-phenylpyrimidine?
The InChIKey is ZZKCBZDJCZZPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-bromo-2-phenylpyrimidine?
5-bromo-2-phenylpyrimidine has a molecular weight of 235.08 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylpyrimidine is sourced from PubChem (CID 14387745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).