2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine

C11H6BrCl2IN2 — CID 66312236

IUPAC2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2Br)nc(Cl)c1I
InChIInChI=1S/C11H6BrCl2IN2/c1-5-9(15)10(14)17-11(16-5)7-4-6(13)2-3-8(7)12/h2-4H,1H3
InChIKeyDXKJPAGRFNQWGS-UHFFFAOYSA-N
MW443.90 g/mol
LogP5.13
Rot. Bonds1

About 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine

2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine (PubChem CID 66312236) has the molecular formula C11H6BrCl2IN2 and a molecular weight of 443.90 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
PubChem CID66312236
Molecular FormulaC11H6BrCl2IN2
Molecular Weight443.90 g/mol
Exact Mass441.81
IUPAC Name2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2Br)nc(Cl)c1I
InChIInChI=1S/C11H6BrCl2IN2/c1-5-9(15)10(14)17-11(16-5)7-4-6(13)2-3-8(7)12/h2-4H,1H3
InChIKeyDXKJPAGRFNQWGS-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.90
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66160468
5-bromo-2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
CID 66303833
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(2-bromo-5-chlorophenyl)-6-methylpyrimidin-4-amine
CID 66160132
2-(2-bromo-5-chlorophenyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 66160720
2-(2-bromo-5-chlorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 66160131
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
CID 66312430
4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine
CID 66293961
2-(4-bromothiophen-2-yl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66294167
2-(2-bromo-5-chlorophenyl)-4-chloro-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83190473
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 103083583
4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline
CID 79234699

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine (CID 66312236) is 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine is Cc1nc(-c2cc(Cl)ccc2Br)nc(Cl)c1I.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine?
The InChIKey is DXKJPAGRFNQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2IN2/c1-5-9(15)10(14)17-11(16-5)7-4-6(13)2-3-8(7)12/h2-4H,1H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine?
2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine has a molecular weight of 443.90 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 66312236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).