2-(4-bromophenyl)-4-chloro-5-iodopyrimidine

C10H5BrClIN2 — CID 66293475

IUPAC2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
SMILESClc1nc(-c2ccc(Br)cc2)ncc1I
InChIInChI=1S/C10H5BrClIN2/c11-7-3-1-6(2-4-7)10-14-5-8(13)9(12)15-10/h1-5H
InChIKeyMRRKNVWYCCESST-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.16
Rot. Bonds1

About 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine

2-(4-bromophenyl)-4-chloro-5-iodopyrimidine (PubChem CID 66293475) has the molecular formula C10H5BrClIN2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
PubChem CID66293475
Molecular FormulaC10H5BrClIN2
Molecular Weight395.43 g/mol
Exact Mass393.84
IUPAC Name2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
SMILESClc1nc(-c2ccc(Br)cc2)ncc1I
InChIInChI=1S/C10H5BrClIN2/c11-7-3-1-6(2-4-7)10-14-5-8(13)9(12)15-10/h1-5H
InChIKeyMRRKNVWYCCESST-UHFFFAOYSA-N
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.16
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-(4-bromophenyl)-4-chloro-5-iodopyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine (CID 66293475) is 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine is Clc1nc(-c2ccc(Br)cc2)ncc1I.
What is the InChIKey of 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine?
The InChIKey is MRRKNVWYCCESST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClIN2/c11-7-3-1-6(2-4-7)10-14-5-8(13)9(12)15-10/h1-5H.
What are the key properties of 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine?
2-(4-bromophenyl)-4-chloro-5-iodopyrimidine has a molecular weight of 395.43 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloro-5-iodopyrimidine is sourced from PubChem (CID 66293475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).