2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine

C18H13ClN5+ — CID 54071084

IUPAC2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine
SMILESClc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccccn2)cc1
InChIInChI=1S/C18H13ClN5/c19-15-9-11-16(12-10-15)23-21-18(14-6-2-1-3-7-14)22-24(23)17-8-4-5-13-20-17/h1-13H/q+1
InChIKeyMGMMMEGYLXGQLX-UHFFFAOYSA-N
MW334.79 g/mol
LogP3.26
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine

2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine (PubChem CID 54071084) has the molecular formula C18H13ClN5+ and a molecular weight of 334.79 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine
PubChem CID54071084
Molecular FormulaC18H13ClN5+
Molecular Weight334.79 g/mol
Exact Mass334.09
IUPAC Name2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine
SMILESClc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccccn2)cc1
InChIInChI=1S/C18H13ClN5/c19-15-9-11-16(12-10-15)23-21-18(14-6-2-1-3-7-14)22-24(23)17-8-4-5-13-20-17/h1-13H/q+1
InChIKeyMGMMMEGYLXGQLX-UHFFFAOYSA-N
XLogP3.26
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5-triphenyltetrazol-2-ium;chloride;hydrate
CID 23288416
dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride
CID 155317226
2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
CID 44630123
2-(4-bromophenyl)-5-phenyl-3-(2H-tetrazol-5-yl)tetrazol-3-ium
CID 1352468
2-[3-[4-(3,5-diphenyltetrazol-3-ium-2-yl)-2-methoxyphenyl]-4-methoxyphenyl]-3,5-diphenyltetrazol-3-ium dichloride
CID 44888661
2-(4-chlorophenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498295
2-naphthalen-1-yl-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;hydrochloride
CID 126959035
5-(4-ethoxyphenyl)-2,3-bis(4-methylphenyl)tetrazol-2-ium chloride
CID 69439535
2-phenylpyrimidine
CID 593578
2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
CID 58929318
5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole
CID 30032544
2-(5-chloro-3-phenyl-1,2,4-triazol-1-yl)pyrimidine
CID 30032592

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine (CID 54071084) is 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine is Clc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccccn2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine?
The InChIKey is MGMMMEGYLXGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN5/c19-15-9-11-16(12-10-15)23-21-18(14-6-2-1-3-7-14)22-24(23)17-8-4-5-13-20-17/h1-13H/q+1.
What are the key properties of 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine?
2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine has a molecular weight of 334.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-phenyltetrazol-2-ium-2-yl]pyridine is sourced from PubChem (CID 54071084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).