2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde

C9H7ClN4O — CID 87601401

IUPAC2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
SMILESO=CCc1nnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H7ClN4O/c10-7-2-1-3-8(6-7)14-12-9(4-5-15)11-13-14/h1-3,5-6H,4H2
InChIKeyHPXICRNPHMLYJT-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.06
Rot. Bonds3

About 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde

2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde (PubChem CID 87601401) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
PubChem CID87601401
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
SMILESO=CCc1nnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C9H7ClN4O/c10-7-2-1-3-8(6-7)14-12-9(4-5-15)11-13-14/h1-3,5-6H,4H2
InChIKeyHPXICRNPHMLYJT-UHFFFAOYSA-N
XLogP1.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.06
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

2-[3-(3-chlorophenyl)imidazol-4-yl]acetaldehyde
CID 83889770
5-ethyl-2-(3-methylphenyl)tetrazole
CID 143793801
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
4-(3-chlorophenyl)-1,2,4-triazole-3-carbaldehyde
CID 83883531
8-[[2-(3-chlorophenyl)tetrazol-5-yl]methyl]-3-pyridin-3-yl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 25030834
2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole
CID 90032618
3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine
CID 69460917
3-(3-chlorophenyl)-5-ethyltriazole-4-carbaldehyde
CID 105497106
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid
CID 57459666
[3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009503

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde (CID 87601401) is 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde is O=CCc1nnn(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde?
The InChIKey is HPXICRNPHMLYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-7-2-1-3-8(6-7)14-12-9(4-5-15)11-13-14/h1-3,5-6H,4H2.
What are the key properties of 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde?
2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde has a molecular weight of 222.64 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde is sourced from PubChem (CID 87601401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).