1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole

C10H7Br2IN2 — CID 107086197

IUPAC1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole
SMILESBrCc1ccc(Br)cc1-n1cc(I)cn1
InChIInChI=1S/C10H7Br2IN2/c11-4-7-1-2-8(12)3-10(7)15-6-9(13)5-14-15/h1-3,5-6H,4H2
InChIKeyFCAJPGDTEKZSGU-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.13
Rot. Bonds2

About 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole

1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole (PubChem CID 107086197) has the molecular formula C10H7Br2IN2 and a molecular weight of 441.89 g/mol. Its IUPAC name is 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole.

Molecular Properties

Compound Name1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole
PubChem CID107086197
Molecular FormulaC10H7Br2IN2
Molecular Weight441.89 g/mol
Exact Mass439.80
IUPAC Name1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole
SMILESBrCc1ccc(Br)cc1-n1cc(I)cn1
InChIInChI=1S/C10H7Br2IN2/c11-4-7-1-2-8(12)3-10(7)15-6-9(13)5-14-15/h1-3,5-6H,4H2
InChIKeyFCAJPGDTEKZSGU-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-bromo-2-(4-iodopyrazol-1-yl)phenyl]butan-2-amine
CID 114061997
N-[[4-bromo-2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 60872941
1-[4-bromo-2-(bromomethyl)phenyl]-4-propan-2-yloxypyrazole
CID 114274149
1-[3-bromo-4-(4-iodopyrazol-1-yl)phenyl]butan-2-amine
CID 114063057
N-[[2-bromo-4-(4-iodopyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 114060902
5-iodo-2-(4-iodopyrazol-1-yl)aniline
CID 66081147
3-iodo-4-(4-iodopyrazol-1-yl)aniline
CID 66092961
1-[(4-bromo-2-nitrophenyl)methyl]-4-iodopyrazole
CID 114382335
1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 82968622
1-[5-bromo-2-(bromomethyl)phenyl]-4-methylpiperazine
CID 107078956
1-[5-bromo-2-[(tert-butylamino)methyl]phenyl]pyrazole-4-carboxamide
CID 64782358
1-(4-bromo-2-chlorophenyl)-4-methylpyrazole
CID 84713061

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole?
The IUPAC name of 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole (CID 107086197) is 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole.
What is the SMILES notation for 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole?
The canonical SMILES for 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole is BrCc1ccc(Br)cc1-n1cc(I)cn1.
What is the InChIKey of 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole?
The InChIKey is FCAJPGDTEKZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2IN2/c11-4-7-1-2-8(12)3-10(7)15-6-9(13)5-14-15/h1-3,5-6H,4H2.
What are the key properties of 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole?
1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole has a molecular weight of 441.89 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(bromomethyl)phenyl]-4-iodopyrazole is sourced from PubChem (CID 107086197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).