2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine

C11H7BrClIN2O — CID 66312881

IUPAC2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
SMILESCOc1ccc(Br)cc1-c1ncc(I)c(Cl)n1
InChIInChI=1S/C11H7BrClIN2O/c1-17-9-3-2-6(12)4-7(9)11-15-5-8(14)10(13)16-11/h2-5H,1H3
InChIKeyLXQFCYXQFJJRFX-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.17
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine

2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine (PubChem CID 66312881) has the molecular formula C11H7BrClIN2O and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
PubChem CID66312881
Molecular FormulaC11H7BrClIN2O
Molecular Weight425.45 g/mol
Exact Mass423.85
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
SMILESCOc1ccc(Br)cc1-c1ncc(I)c(Cl)n1
InChIInChI=1S/C11H7BrClIN2O/c1-17-9-3-2-6(12)4-7(9)11-15-5-8(14)10(13)16-11/h2-5H,1H3
InChIKeyLXQFCYXQFJJRFX-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
[2-(5-bromo-2-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 62250376
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
CID 103373064
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5-iodopyrimidine
CID 66292248
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine (CID 66312881) is 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine is COc1ccc(Br)cc1-c1ncc(I)c(Cl)n1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine?
The InChIKey is LXQFCYXQFJJRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClIN2O/c1-17-9-3-2-6(12)4-7(9)11-15-5-8(14)10(13)16-11/h2-5H,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine?
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine has a molecular weight of 425.45 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine is sourced from PubChem (CID 66312881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).