2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid

C9H7ClN4O2 — CID 1096293

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKeyIFIZLMBMWFHCOO-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.08
Rot. Bonds3

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid

2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid (PubChem CID 1096293) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid
PubChem CID1096293
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKeyIFIZLMBMWFHCOO-UHFFFAOYSA-N
XLogP1.08
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid (CID 1096293) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid?
The InChIKey is IFIZLMBMWFHCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid?
2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid has a molecular weight of 238.63 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 1096293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).