2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate

C9H6ClN4O2- — CID 6922149

IUPAC2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
SMILESO=C([O-])Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN4O2/c10-7-4-2-1-3-6(7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)/p-1
InChIKeyXTEQROKRTGIKDV-UHFFFAOYSA-M
MW237.63 g/mol
LogP-0.26
Rot. Bonds3

About 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate

2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate (PubChem CID 6922149) has the molecular formula C9H6ClN4O2- and a molecular weight of 237.63 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
PubChem CID6922149
Molecular FormulaC9H6ClN4O2-
Molecular Weight237.63 g/mol
Exact Mass237.02
IUPAC Name2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
SMILESO=C([O-])Cn1nnc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN4O2/c10-7-4-2-1-3-6(7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)/p-1
InChIKeyXTEQROKRTGIKDV-UHFFFAOYSA-M
XLogP-0.26
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 4810015
3-amino-5-[5-(2-chlorophenyl)tetrazol-2-yl]-4-oxopentanoic acid
CID 139722485
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7350531
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634919
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8685781
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 4808472
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 4304927
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate?
The IUPAC name of 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate (CID 6922149) is 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate?
The canonical SMILES for 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate is O=C([O-])Cn1nnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate?
The InChIKey is XTEQROKRTGIKDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7ClN4O2/c10-7-4-2-1-3-6(7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)/p-1.
What are the key properties of 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate?
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate has a molecular weight of 237.63 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 6922149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).