1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

C12H10BrClN4O2 — CID 107995331

IUPAC1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2ccc(Cl)cc2Br)CCC1
InChIInChI=1S/C12H10BrClN4O2/c13-9-6-7(14)2-3-8(9)10-15-16-17-18(10)12(11(19)20)4-1-5-12/h2-3,6H,1,4-5H2,(H,19,20)
InChIKeyOFWMBVANMRUDSX-UHFFFAOYSA-N
MW357.60 g/mol
LogP2.72
Rot. Bonds3

About 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 107995331) has the molecular formula C12H10BrClN4O2 and a molecular weight of 357.60 g/mol. Its IUPAC name is 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID107995331
Molecular FormulaC12H10BrClN4O2
Molecular Weight357.60 g/mol
Exact Mass355.97
IUPAC Name1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(n2nnnc2-c2ccc(Cl)cc2Br)CCC1
InChIInChI=1S/C12H10BrClN4O2/c13-9-6-7(14)2-3-8(9)10-15-16-17-18(10)12(11(19)20)4-1-5-12/h2-3,6H,1,4-5H2,(H,19,20)
InChIKeyOFWMBVANMRUDSX-UHFFFAOYSA-N
XLogP2.72
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.60
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic 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

1-[5-(4-chloro-2-methoxyphenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 81155595
1-[[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 107995350
1-[5-(3-bromophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 81167498
1-[5-(1-benzofuran-3-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 81156125
1-[5-(difluoromethyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 81167582
1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 114031514
8-chloro-5,5-dimethyl-6H-tetrazolo[1,5-c]quinazoline
CID 139080100
1-[5-(3-bicyclo[3.1.0]hexanyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
CID 81167589
1-(5-cyclopentyltetrazol-1-yl)cyclobutane-1-carboxylic acid
CID 81167840
5-(2-bromo-4-chlorophenyl)-3,4-dihydropyrazole-2-carboxylic acid
CID 135205788
2-[[5-(2-bromo-4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 114024661
[5-(2-bromo-4-chlorophenyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanol
CID 107995809

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 107995331) is 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is O=C(O)C1(n2nnnc2-c2ccc(Cl)cc2Br)CCC1.
What is the InChIKey of 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is OFWMBVANMRUDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4O2/c13-9-6-7(14)2-3-8(9)10-15-16-17-18(10)12(11(19)20)4-1-5-12/h2-3,6H,1,4-5H2,(H,19,20).
What are the key properties of 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 357.60 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107995331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).