5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde

C14H11N5O — CID 80631830

IUPAC5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11N5O/c1-10-7-11(9-20)8-15-14(10)19-17-13(16-18-19)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyKHZOLWNBSDOSOA-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.85
Rot. Bonds3

About 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde

5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde (PubChem CID 80631830) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde
PubChem CID80631830
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1-n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H11N5O/c1-10-7-11(9-20)8-15-14(10)19-17-13(16-18-19)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyKHZOLWNBSDOSOA-UHFFFAOYSA-N
XLogP1.85
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde (CID 80631830) is 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde is Cc1cc(C=O)cnc1-n1nnc(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde?
The InChIKey is KHZOLWNBSDOSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-10-7-11(9-20)8-15-14(10)19-17-13(16-18-19)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde?
5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde has a molecular weight of 265.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).