2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde

C14H10N4O2 — CID 162383736

IUPAC2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde
SMILESO=Cc1cc(-c2cccc(-c3nn[nH]n3)c2)ccc1O
InChIInChI=1S/C14H10N4O2/c19-8-12-7-10(4-5-13(12)20)9-2-1-3-11(6-9)14-15-17-18-16-14/h1-8,20H,(H,15,16,17,18)
InChIKeyWFGAKKKJZGHZRA-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.05
Rot. Bonds3

About 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde

2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde (PubChem CID 162383736) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde
PubChem CID162383736
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde
SMILESO=Cc1cc(-c2cccc(-c3nn[nH]n3)c2)ccc1O
InChIInChI=1S/C14H10N4O2/c19-8-12-7-10(4-5-13(12)20)9-2-1-3-11(6-9)14-15-17-18-16-14/h1-8,20H,(H,15,16,17,18)
InChIKeyWFGAKKKJZGHZRA-UHFFFAOYSA-N
XLogP2.05
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
The IUPAC name of 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde (CID 162383736) is 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
The canonical SMILES for 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde is O=Cc1cc(-c2cccc(-c3nn[nH]n3)c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
The InChIKey is WFGAKKKJZGHZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-8-12-7-10(4-5-13(12)20)9-2-1-3-11(6-9)14-15-17-18-16-14/h1-8,20H,(H,15,16,17,18).
What are the key properties of 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde?
2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde has a molecular weight of 266.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]benzaldehyde is sourced from PubChem (CID 162383736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).