1-(5-chloro-2-methoxyphenyl)tetrazole

C8H7ClN4O — CID 856074

IUPAC1-(5-chloro-2-methoxyphenyl)tetrazole
SMILESCOc1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C8H7ClN4O/c1-14-8-3-2-6(9)4-7(8)13-5-10-11-12-13/h2-5H,1H3
InChIKeyIDRITXBRDVUIEC-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.32
Rot. Bonds2

About 1-(5-chloro-2-methoxyphenyl)tetrazole

1-(5-chloro-2-methoxyphenyl)tetrazole (PubChem CID 856074) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)tetrazole
PubChem CID856074
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name1-(5-chloro-2-methoxyphenyl)tetrazole
SMILESCOc1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C8H7ClN4O/c1-14-8-3-2-6(9)4-7(8)13-5-10-11-12-13/h2-5H,1H3
InChIKeyIDRITXBRDVUIEC-UHFFFAOYSA-N
XLogP1.32
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)tetrazole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)tetrazole (CID 856074) is 1-(5-chloro-2-methoxyphenyl)tetrazole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)tetrazole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)tetrazole is COc1ccc(Cl)cc1-n1cnnn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)tetrazole?
The InChIKey is IDRITXBRDVUIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c1-14-8-3-2-6(9)4-7(8)13-5-10-11-12-13/h2-5H,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)tetrazole?
1-(5-chloro-2-methoxyphenyl)tetrazole has a molecular weight of 210.62 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)tetrazole is sourced from PubChem (CID 856074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).