2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine

C16H9BrClIN2 — CID 66292715

IUPAC2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2Br)nc(-c2ccccc2)c1I
InChIInChI=1S/C16H9BrClIN2/c17-12-9-5-4-8-11(12)16-20-14(13(19)15(18)21-16)10-6-2-1-3-7-10/h1-9H
InChIKeyCAGYZKDIMDXJGF-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.83
Rot. Bonds2

About 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine

2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine (PubChem CID 66292715) has the molecular formula C16H9BrClIN2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine
PubChem CID66292715
Molecular FormulaC16H9BrClIN2
Molecular Weight471.52 g/mol
Exact Mass469.87
IUPAC Name2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2Br)nc(-c2ccccc2)c1I
InChIInChI=1S/C16H9BrClIN2/c17-12-9-5-4-8-11(12)16-20-14(13(19)15(18)21-16)10-6-2-1-3-7-10/h1-9H
InChIKeyCAGYZKDIMDXJGF-UHFFFAOYSA-N
XLogP5.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine?
The IUPAC name of 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine (CID 66292715) is 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine.
What is the SMILES notation for 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine?
The canonical SMILES for 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine is Clc1nc(-c2ccccc2Br)nc(-c2ccccc2)c1I.
What is the InChIKey of 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine?
The InChIKey is CAGYZKDIMDXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClIN2/c17-12-9-5-4-8-11(12)16-20-14(13(19)15(18)21-16)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine?
2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine has a molecular weight of 471.52 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine is sourced from PubChem (CID 66292715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).