1-(2-bromo-3-methoxyphenyl)tetrazole

C8H7BrN4O — CID 18787105

IUPAC1-(2-bromo-3-methoxyphenyl)tetrazole
SMILESCOc1cccc(-n2cnnn2)c1Br
InChIInChI=1S/C8H7BrN4O/c1-14-7-4-2-3-6(8(7)9)13-5-10-11-12-13/h2-5H,1H3
InChIKeyWOTWRPZKUHHWTI-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.43
Rot. Bonds2

About 1-(2-bromo-3-methoxyphenyl)tetrazole

1-(2-bromo-3-methoxyphenyl)tetrazole (PubChem CID 18787105) has the molecular formula C8H7BrN4O and a molecular weight of 255.08 g/mol. Its IUPAC name is 1-(2-bromo-3-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(2-bromo-3-methoxyphenyl)tetrazole
PubChem CID18787105
Molecular FormulaC8H7BrN4O
Molecular Weight255.08 g/mol
Exact Mass253.98
IUPAC Name1-(2-bromo-3-methoxyphenyl)tetrazole
SMILESCOc1cccc(-n2cnnn2)c1Br
InChIInChI=1S/C8H7BrN4O/c1-14-7-4-2-3-6(8(7)9)13-5-10-11-12-13/h2-5H,1H3
InChIKeyWOTWRPZKUHHWTI-UHFFFAOYSA-N
XLogP1.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methoxyphenyl)tetrazole?
The IUPAC name of 1-(2-bromo-3-methoxyphenyl)tetrazole (CID 18787105) is 1-(2-bromo-3-methoxyphenyl)tetrazole.
What is the SMILES notation for 1-(2-bromo-3-methoxyphenyl)tetrazole?
The canonical SMILES for 1-(2-bromo-3-methoxyphenyl)tetrazole is COc1cccc(-n2cnnn2)c1Br.
What is the InChIKey of 1-(2-bromo-3-methoxyphenyl)tetrazole?
The InChIKey is WOTWRPZKUHHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c1-14-7-4-2-3-6(8(7)9)13-5-10-11-12-13/h2-5H,1H3.
What are the key properties of 1-(2-bromo-3-methoxyphenyl)tetrazole?
1-(2-bromo-3-methoxyphenyl)tetrazole has a molecular weight of 255.08 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methoxyphenyl)tetrazole is sourced from PubChem (CID 18787105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).