5-[(2-bromophenoxy)methyl]-2-methyltetrazole

C9H9BrN4O — CID 107043106

IUPAC5-[(2-bromophenoxy)methyl]-2-methyltetrazole
SMILESCn1nnc(COc2ccccc2Br)n1
InChIInChI=1S/C9H9BrN4O/c1-14-12-9(11-13-14)6-15-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3
InChIKeyTVXQBZKKNHDMMN-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.55
Rot. Bonds3

About 5-[(2-bromophenoxy)methyl]-2-methyltetrazole

5-[(2-bromophenoxy)methyl]-2-methyltetrazole (PubChem CID 107043106) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-2-methyltetrazole
PubChem CID107043106
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-[(2-bromophenoxy)methyl]-2-methyltetrazole
SMILESCn1nnc(COc2ccccc2Br)n1
InChIInChI=1S/C9H9BrN4O/c1-14-12-9(11-13-14)6-15-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3
InChIKeyTVXQBZKKNHDMMN-UHFFFAOYSA-N
XLogP1.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3-dimethylphenoxy)methyl]-2-methyltetrazole
CID 107055284
3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]benzaldehyde
CID 107043156
5-[(2-fluoro-3-methylphenoxy)methyl]-2-methyltetrazole
CID 107661914
5-[(4-bromo-2-methylphenoxy)methyl]-2-methyltetrazole
CID 107043113
5-[(3-bromophenoxy)methyl]-2-methyltetrazole
CID 107043105
N-[[3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041356
N-[[2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 107041124
N-cyclohexyl-2-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 167898302
3-chloro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
CID 107040843
2-amino-6-[(2-methyltetrazol-5-yl)methoxy]benzoic acid
CID 107341596
2-[(2-methyltetrazol-5-yl)methoxy]naphthalene-1-carbaldehyde
CID 107043143
5-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-2-methyltetrazole
CID 107043127

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-2-methyltetrazole?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-2-methyltetrazole (CID 107043106) is 5-[(2-bromophenoxy)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-2-methyltetrazole is Cn1nnc(COc2ccccc2Br)n1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-2-methyltetrazole?
The InChIKey is TVXQBZKKNHDMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-14-12-9(11-13-14)6-15-8-5-3-2-4-7(8)10/h2-5H,6H2,1H3.
What are the key properties of 5-[(2-bromophenoxy)methyl]-2-methyltetrazole?
5-[(2-bromophenoxy)methyl]-2-methyltetrazole has a molecular weight of 269.10 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-2-methyltetrazole is sourced from PubChem (CID 107043106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).