5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine

C13H10ClN5 — CID 61257439

IUPAC5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
SMILESClCc1ccc(-n2nnc(-c3ccccc3)n2)nc1
InChIInChI=1S/C13H10ClN5/c14-8-10-6-7-12(15-9-10)19-17-13(16-18-19)11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyVSWXNJRIROBXOD-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.46
Rot. Bonds3

About 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine

5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine (PubChem CID 61257439) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
PubChem CID61257439
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
SMILESClCc1ccc(-n2nnc(-c3ccccc3)n2)nc1
InChIInChI=1S/C13H10ClN5/c14-8-10-6-7-12(15-9-10)19-17-13(16-18-19)11-4-2-1-3-5-11/h1-7,9H,8H2
InChIKeyVSWXNJRIROBXOD-UHFFFAOYSA-N
XLogP2.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine (CID 61257439) is 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine is ClCc1ccc(-n2nnc(-c3ccccc3)n2)nc1.
What is the InChIKey of 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine?
The InChIKey is VSWXNJRIROBXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-8-10-6-7-12(15-9-10)19-17-13(16-18-19)11-4-2-1-3-5-11/h1-7,9H,8H2.
What are the key properties of 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine?
5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine has a molecular weight of 271.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine is sourced from PubChem (CID 61257439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).