2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid

C10H9BrN4O3 — CID 66042372

IUPAC2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid
SMILESCOc1ccc(Br)c(-c2nnnn2CC(=O)O)c1
InChIInChI=1S/C10H9BrN4O3/c1-18-6-2-3-8(11)7(4-6)10-12-13-14-15(10)5-9(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyHZJLOLXIDXJLGT-UHFFFAOYSA-N
MW313.11 g/mol
LogP1.20
Rot. Bonds4

About 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid

2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid (PubChem CID 66042372) has the molecular formula C10H9BrN4O3 and a molecular weight of 313.11 g/mol. Its IUPAC name is 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid
PubChem CID66042372
Molecular FormulaC10H9BrN4O3
Molecular Weight313.11 g/mol
Exact Mass311.99
IUPAC Name2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid
SMILESCOc1ccc(Br)c(-c2nnnn2CC(=O)O)c1
InChIInChI=1S/C10H9BrN4O3/c1-18-6-2-3-8(11)7(4-6)10-12-13-14-15(10)5-9(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKeyHZJLOLXIDXJLGT-UHFFFAOYSA-N
XLogP1.20
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66046771
4-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81068870
2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
CID 66042566
2-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]acetic acid
CID 66041963
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
3-[5-(2-fluoro-4-methoxyphenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 102885720
2-[5-(3-ethyl-6-methylpyridazin-4-yl)tetrazol-1-yl]acetic acid
CID 104673061
2-[5-(4-oxo-1H-pyridin-3-yl)tetrazol-1-yl]acetic acid
CID 136812872
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
2-[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 65322784
3-[5-(3-bromo-4-methoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041010

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid (CID 66042372) is 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid is COc1ccc(Br)c(-c2nnnn2CC(=O)O)c1.
What is the InChIKey of 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid?
The InChIKey is HZJLOLXIDXJLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O3/c1-18-6-2-3-8(11)7(4-6)10-12-13-14-15(10)5-9(16)17/h2-4H,5H2,1H3,(H,16,17).
What are the key properties of 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid?
2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid has a molecular weight of 313.11 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromo-5-methoxyphenyl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66042372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).