2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid

C10H8BrClN4O2 — CID 66041787

IUPAC2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1cc(Br)ccc1Cl
InChIInChI=1S/C10H8BrClN4O2/c1-5(10(17)18)16-9(13-14-15-16)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,17,18)
InChIKeyHARBSDQREXWVGZ-UHFFFAOYSA-N
MW331.56 g/mol
LogP2.40
Rot. Bonds3

About 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid

2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid (PubChem CID 66041787) has the molecular formula C10H8BrClN4O2 and a molecular weight of 331.56 g/mol. Its IUPAC name is 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid
PubChem CID66041787
Molecular FormulaC10H8BrClN4O2
Molecular Weight331.56 g/mol
Exact Mass329.95
IUPAC Name2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1cc(Br)ccc1Cl
InChIInChI=1S/C10H8BrClN4O2/c1-5(10(17)18)16-9(13-14-15-16)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,17,18)
InChIKeyHARBSDQREXWVGZ-UHFFFAOYSA-N
XLogP2.40
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-bromo-5-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 114018790
2-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]propanoic acid
CID 81262161
2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid
CID 104673065
2-[5-(2,3-dimethylphenyl)tetrazol-1-yl]propanoic acid
CID 66040988
2-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]propanoic acid
CID 66042578
1-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 81166862
4-chloro-3-[1-(3,3-dimethylbutan-2-yl)tetrazol-5-yl]aniline
CID 104829713
2-[5-(3-bromophenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 82225942
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]propanoic acid
CID 66043588
3-[5-(4-bromo-2-methylphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66046757
2-[5-(2-benzothiophen-1-yl)tetrazol-1-yl]propanoic acid
CID 67906464
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 54345783

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid (CID 66041787) is 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid is CC(C(=O)O)n1nnnc1-c1cc(Br)ccc1Cl.
What is the InChIKey of 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid?
The InChIKey is HARBSDQREXWVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O2/c1-5(10(17)18)16-9(13-14-15-16)7-4-6(11)2-3-8(7)12/h2-5H,1H3,(H,17,18).
What are the key properties of 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid?
2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid has a molecular weight of 331.56 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66041787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).