5-(tetrazol-1-yl)pyridine-2-carbaldehyde

C7H5N5O — CID 123798914

IUPAC5-(tetrazol-1-yl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-n2cnnn2)cn1
InChIInChI=1S/C7H5N5O/c13-4-6-1-2-7(3-8-6)12-5-9-10-11-12/h1-5H
InChIKeyFBULDHFUGLEBTK-UHFFFAOYSA-N
MW175.15 g/mol
LogP-0.13
Rot. Bonds2

About 5-(tetrazol-1-yl)pyridine-2-carbaldehyde

5-(tetrazol-1-yl)pyridine-2-carbaldehyde (PubChem CID 123798914) has the molecular formula C7H5N5O and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-(tetrazol-1-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(tetrazol-1-yl)pyridine-2-carbaldehyde
PubChem CID123798914
Molecular FormulaC7H5N5O
Molecular Weight175.15 g/mol
Exact Mass175.05
IUPAC Name5-(tetrazol-1-yl)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(-n2cnnn2)cn1
InChIInChI=1S/C7H5N5O/c13-4-6-1-2-7(3-8-6)12-5-9-10-11-12/h1-5H
InChIKeyFBULDHFUGLEBTK-UHFFFAOYSA-N
XLogP-0.13
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(tetrazol-1-yl)benzaldehyde
CID 55266152
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
1-(4-fluorophenyl)tetrazole
CID 825628
4-(tetrazol-1-yl)phenolate
CID 101371881
sodium 4-(tetrazol-1-yl)benzenesulfinate
CID 165454670
1-(4-ethenylsulfonylphenyl)tetrazole
CID 102223380
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
N,N-dicyclohexyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 650971
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
2,4-bis(tetrazol-1-yl)phenol
CID 29060335

Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-1-yl)pyridine-2-carbaldehyde?
The IUPAC name of 5-(tetrazol-1-yl)pyridine-2-carbaldehyde (CID 123798914) is 5-(tetrazol-1-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(tetrazol-1-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(tetrazol-1-yl)pyridine-2-carbaldehyde is O=Cc1ccc(-n2cnnn2)cn1.
What is the InChIKey of 5-(tetrazol-1-yl)pyridine-2-carbaldehyde?
The InChIKey is FBULDHFUGLEBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N5O/c13-4-6-1-2-7(3-8-6)12-5-9-10-11-12/h1-5H.
What are the key properties of 5-(tetrazol-1-yl)pyridine-2-carbaldehyde?
5-(tetrazol-1-yl)pyridine-2-carbaldehyde has a molecular weight of 175.15 g/mol, XLogP of -0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-1-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 123798914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).