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

C9H7BrN4O2 — CID 82307384

IUPAC2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-3-7(4-2-6)14-12-8(11-13-14)5-9(15)16/h1-4H,5H2,(H,15,16)
InChIKeyUNTHQTLQZWTQHN-UHFFFAOYSA-N
MW283.09 g/mol
LogP1.05
Rot. Bonds3

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

2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid (PubChem CID 82307384) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid
PubChem CID82307384
Molecular FormulaC9H7BrN4O2
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnn(-c2ccc(Br)cc2)n1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-3-7(4-2-6)14-12-8(11-13-14)5-9(15)16/h1-4H,5H2,(H,15,16)
InChIKeyUNTHQTLQZWTQHN-UHFFFAOYSA-N
XLogP1.05
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid 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-[2-(4-ethylphenyl)tetrazol-5-yl]acetic acid
CID 82289553
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
2-(4-bromophenyl)tetrazole-5-carboxamide
CID 71791716
2-[5-amino-1-(4-bromophenyl)pyrazol-4-yl]acetic acid
CID 115069491
5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072
N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine
CID 84771781
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
3-[2-(3-fluorophenyl)tetrazol-5-yl]propanoic acid
CID 82291536
2-(4-bromophenyl)-N-(2,3,4-trifluorophenyl)tetrazole-5-carboxamide
CID 71791714
3-[2-(2-bromo-4-methylphenyl)tetrazol-5-yl]propanoic acid
CID 82308879
2-[1-(4-bromophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 43145217
3-(4-bromophenyl)-3-hydroxypropanoic acid
CID 11579638

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid (CID 82307384) is 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid is O=C(O)Cc1nnn(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid?
The InChIKey is UNTHQTLQZWTQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-6-1-3-7(4-2-6)14-12-8(11-13-14)5-9(15)16/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid?
2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid has a molecular weight of 283.09 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 82307384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).