2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine

C17H12N6 — CID 10286300

IUPAC2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine
SMILESc1ccc(-c2nnn(-c3cccc(-c4cccnc4)c3)n2)nc1
InChIInChI=1S/C17H12N6/c1-2-10-19-16(8-1)17-20-22-23(21-17)15-7-3-5-13(11-15)14-6-4-9-18-12-14/h1-12H
InChIKeyWXYKFMCIKBZGRS-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.79
Rot. Bonds3

About 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine

2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine (PubChem CID 10286300) has the molecular formula C17H12N6 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine
PubChem CID10286300
Molecular FormulaC17H12N6
Molecular Weight300.33 g/mol
Exact Mass300.11
IUPAC Name2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine
SMILESc1ccc(-c2nnn(-c3cccc(-c4cccnc4)c3)n2)nc1
InChIInChI=1S/C17H12N6/c1-2-10-19-16(8-1)17-20-22-23(21-17)15-7-3-5-13(11-15)14-6-4-9-18-12-14/h1-12H
InChIKeyWXYKFMCIKBZGRS-UHFFFAOYSA-N
XLogP2.79
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
GW-6604
CID 9861063
3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine
CID 315109
3-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitrile
CID 10198811
3-fluoro-5-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitrile
CID 10400683
N, N-dimethyl-6-phenyl-5-(pyridin-4-yl)pyridazin-3-amine
CID 59867354
6-(4-Methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
CID 59867414
1-(1H-1,2,3,4-tetrazol-5-yl)isoquinoline
CID 318839
Sdccggsk-0000053.P001
CID 44418481
5,6-Diphenyl-3-pyridin-4-yl-1,2,4-triazine
CID 6409328
2-{2-[3-fluoro-5-(pyridin-3-ylmethyl)phenyl]-2H-tetrazol-5-yl}pyridine
CID 9945473
2-Methoxy-5-[3-(5-pyridin-2-yl-tetrazol-2-yl)-phenyl]-pyrimidine
CID 10125821

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine (CID 10286300) is 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine is c1ccc(-c2nnn(-c3cccc(-c4cccnc4)c3)n2)nc1.
What is the InChIKey of 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine?
The InChIKey is WXYKFMCIKBZGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6/c1-2-10-19-16(8-1)17-20-22-23(21-17)15-7-3-5-13(11-15)14-6-4-9-18-12-14/h1-12H.
What are the key properties of 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine?
2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine has a molecular weight of 300.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyridin-3-ylphenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 10286300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).