1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole

C10H7BrFIN2 — CID 78997457

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole
SMILESFc1ccc(Br)c(Cn2cc(I)cn2)c1
InChIInChI=1S/C10H7BrFIN2/c11-10-2-1-8(12)3-7(10)5-15-6-9(13)4-14-15/h1-4,6H,5H2
InChIKeyJYNBIDPYJQCFPG-UHFFFAOYSA-N
MW380.99 g/mol
LogP3.44
Rot. Bonds2

About 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole

1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole (PubChem CID 78997457) has the molecular formula C10H7BrFIN2 and a molecular weight of 380.99 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole
PubChem CID78997457
Molecular FormulaC10H7BrFIN2
Molecular Weight380.99 g/mol
Exact Mass379.88
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole
SMILESFc1ccc(Br)c(Cn2cc(I)cn2)c1
InChIInChI=1S/C10H7BrFIN2/c11-10-2-1-8(12)3-7(10)5-15-6-9(13)4-14-15/h1-4,6H,5H2
InChIKeyJYNBIDPYJQCFPG-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.99
LogP ≤ 53.44
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

1-[(2-bromo-5-fluorophenyl)methyl]-4-(4-iodophenyl)pyrazole
CID 79783115
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 62731601
2-[1-[(2-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338336
1-[(3,4-difluorophenyl)methyl]-4-iodopyrazole
CID 78997583
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-iodopyrazole
CID 102878282
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62731399
1-[(4-bromo-2-nitrophenyl)methyl]-4-iodopyrazole
CID 114382335
1-[(2-bromo-4-fluorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 62730571
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole (CID 78997457) is 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole is Fc1ccc(Br)c(Cn2cc(I)cn2)c1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole?
The InChIKey is JYNBIDPYJQCFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFIN2/c11-10-2-1-8(12)3-7(10)5-15-6-9(13)4-14-15/h1-4,6H,5H2.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole?
1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole has a molecular weight of 380.99 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-4-iodopyrazole is sourced from PubChem (CID 78997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).