1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole

C15H12BrIN2O — CID 79785127

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
SMILESCOc1ccc(Br)c(Cn2ncc3ccc(I)cc32)c1
InChIInChI=1S/C15H12BrIN2O/c1-20-13-4-5-14(16)11(6-13)9-19-15-7-12(17)3-2-10(15)8-18-19/h2-8H,9H2,1H3
InChIKeyMZMVZRNJWVWIAK-UHFFFAOYSA-N
MW443.08 g/mol
LogP4.46
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole

1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole (PubChem CID 79785127) has the molecular formula C15H12BrIN2O and a molecular weight of 443.08 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
PubChem CID79785127
Molecular FormulaC15H12BrIN2O
Molecular Weight443.08 g/mol
Exact Mass441.92
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole
SMILESCOc1ccc(Br)c(Cn2ncc3ccc(I)cc32)c1
InChIInChI=1S/C15H12BrIN2O/c1-20-13-4-5-14(16)11(6-13)9-19-15-7-12(17)3-2-10(15)8-18-19/h2-8H,9H2,1H3
InChIKeyMZMVZRNJWVWIAK-UHFFFAOYSA-N
XLogP4.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.08
LogP ≤ 54.46
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

6-bromo-7-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 168931973
1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
CID 65326515
1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazol-4-amine
CID 79542535
6-iodo-1-(4-methoxybutyl)indazole
CID 104650837
1-[(2-chloro-4-fluorophenyl)methyl]-6-iodoindazole
CID 79785038
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 65326686
1-(3,3-dimethylbutyl)-6-iodoindazole
CID 79785410
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-one
CID 65325926
2-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 65322784
1-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-one
CID 65327267

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole (CID 79785127) is 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole is COc1ccc(Br)c(Cn2ncc3ccc(I)cc32)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole?
The InChIKey is MZMVZRNJWVWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIN2O/c1-20-13-4-5-14(16)11(6-13)9-19-15-7-12(17)3-2-10(15)8-18-19/h2-8H,9H2,1H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole?
1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole has a molecular weight of 443.08 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-6-iodoindazole is sourced from PubChem (CID 79785127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).