1-(2-bromophenyl)tetrazole-5-carbaldehyde

C8H5BrN4O — CID 83900609

IUPAC1-(2-bromophenyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1-c1ccccc1Br
InChIInChI=1S/C8H5BrN4O/c9-6-3-1-2-4-7(6)13-8(5-14)10-11-12-13/h1-5H
InChIKeyRRIYLFITAXGKHZ-UHFFFAOYSA-N
MW253.06 g/mol
LogP1.24
Rot. Bonds2

About 1-(2-bromophenyl)tetrazole-5-carbaldehyde

1-(2-bromophenyl)tetrazole-5-carbaldehyde (PubChem CID 83900609) has the molecular formula C8H5BrN4O and a molecular weight of 253.06 g/mol. Its IUPAC name is 1-(2-bromophenyl)tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2-bromophenyl)tetrazole-5-carbaldehyde
PubChem CID83900609
Molecular FormulaC8H5BrN4O
Molecular Weight253.06 g/mol
Exact Mass251.96
IUPAC Name1-(2-bromophenyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1-c1ccccc1Br
InChIInChI=1S/C8H5BrN4O/c9-6-3-1-2-4-7(6)13-8(5-14)10-11-12-13/h1-5H
InChIKeyRRIYLFITAXGKHZ-UHFFFAOYSA-N
XLogP1.24
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-5-propan-2-yltetrazole
CID 62076489
N-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 62737942
1-(2-bromophenyl)-5-[[(R)-butylsulfinyl]methyl]tetrazole
CID 97050601
2-bromobenzaldehyde;bromobenzene
CID 174648828
N-[1-[1-(2-bromophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 103084884
(3S,4R)-1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761384
2-[5-[(E)-2-carboxyethenyl]tetrazol-1-yl]benzoic acid
CID 82366567
(E)-3-[1-(2-fluorophenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366497
5-ethenyl-1-phenyltetrazole
CID 12753529
[1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772790
1-(2-bromophenyl)-5-phenyltriazole
CID 102046608
1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775540

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)tetrazole-5-carbaldehyde?
The IUPAC name of 1-(2-bromophenyl)tetrazole-5-carbaldehyde (CID 83900609) is 1-(2-bromophenyl)tetrazole-5-carbaldehyde.
What is the SMILES notation for 1-(2-bromophenyl)tetrazole-5-carbaldehyde?
The canonical SMILES for 1-(2-bromophenyl)tetrazole-5-carbaldehyde is O=Cc1nnnn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)tetrazole-5-carbaldehyde?
The InChIKey is RRIYLFITAXGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN4O/c9-6-3-1-2-4-7(6)13-8(5-14)10-11-12-13/h1-5H.
What are the key properties of 1-(2-bromophenyl)tetrazole-5-carbaldehyde?
1-(2-bromophenyl)tetrazole-5-carbaldehyde has a molecular weight of 253.06 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)tetrazole-5-carbaldehyde is sourced from PubChem (CID 83900609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).