2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine

C17H12N6 — CID 68616100

IUPAC2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
SMILESc1ccc(-c2nnn(-c3ccc(-c4ccncc4)cc3)n2)nc1
InChIInChI=1S/C17H12N6/c1-2-10-19-16(3-1)17-20-22-23(21-17)15-6-4-13(5-7-15)14-8-11-18-12-9-14/h1-12H
InChIKeyCLFLLZJOELEIHK-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.79
Rot. Bonds3

About 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine

2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine (PubChem CID 68616100) has the molecular formula C17H12N6 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
PubChem CID68616100
Molecular FormulaC17H12N6
Molecular Weight300.33 g/mol
Exact Mass300.11
IUPAC Name2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine
SMILESc1ccc(-c2nnn(-c3ccc(-c4ccncc4)cc3)n2)nc1
InChIInChI=1S/C17H12N6/c1-2-10-19-16(3-1)17-20-22-23(21-17)15-6-4-13(5-7-15)14-8-11-18-12-9-14/h1-12H
InChIKeyCLFLLZJOELEIHK-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

2-[2-(4-chlorophenyl)tetrazol-5-yl]pyridine
CID 58929318
2-pyridin-3-yl-5-(5-pyridin-2-yltetrazol-2-yl)pyridine
CID 10149553
2-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]pyridine
CID 58929286
1-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanone
CID 58929263
2-[2-(2,6-dichlorophenyl)tetrazol-5-yl]pyridine
CID 58929285
2,4-dipyridin-2-yl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765788
3-[3-(5-pyridin-2-yltetrazol-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 10125913
2-pyridin-2-yl-4-(4-pyridin-2-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 144765773
ethane;2-[2-(3-ethynylphenyl)tetrazol-5-yl]pyridine
CID 142231939
1-[2-methoxy-4-(5-pyridin-2-yltetrazol-2-yl)phenyl]ethanamine
CID 69152982
2-pyridin-2-yl-4-pyridin-4-yl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 144765683
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine?
The IUPAC name of 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine (CID 68616100) is 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine is c1ccc(-c2nnn(-c3ccc(-c4ccncc4)cc3)n2)nc1.
What is the InChIKey of 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine?
The InChIKey is CLFLLZJOELEIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6/c1-2-10-19-16(3-1)17-20-22-23(21-17)15-6-4-13(5-7-15)14-8-11-18-12-9-14/h1-12H.
What are the key properties of 2-[2-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine?
2-[2-(4-pyridin-4-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-(4-pyridin-4-ylphenyl)tetrazol-5-yl]pyridine is sourced from PubChem (CID 68616100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).