2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine

C13H11N5O — CID 16764721

IUPAC2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(-n3cnnn3)cc2)nc1
InChIInChI=1S/C13H11N5O/c1-2-8-14-11(3-1)9-19-13-6-4-12(5-7-13)18-10-15-16-17-18/h1-8,10H,9H2
InChIKeyUJPPASFLWYYDKD-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.64
Rot. Bonds4

About 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine

2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine (PubChem CID 16764721) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
PubChem CID16764721
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine
SMILESc1ccc(COc2ccc(-n3cnnn3)cc2)nc1
InChIInChI=1S/C13H11N5O/c1-2-8-14-11(3-1)9-19-13-6-4-12(5-7-13)18-10-15-16-17-18/h1-8,10H,9H2
InChIKeyUJPPASFLWYYDKD-UHFFFAOYSA-N
XLogP1.64
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]pyridine
CID 50959322
2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 18165684
2-(2-methoxyphenyl)-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole
CID 55356626
5-(furan-2-yl)-3-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,2-oxazole
CID 26676390
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
2-[4-(tetrazol-1-yl)phenoxy]acetonitrile
CID 8566130
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
2-[4-[4-(tetrazol-1-yl)phenoxy]butyl]isoindole-1,3-dione
CID 67598186
1-[4-[(4-bromo-2,5-dimethoxyphenyl)methoxy]phenyl]tetrazole
CID 8900468
N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 24698261
2-[2-[4-(tetrazol-1-yl)phenoxy]ethyl]isoindole-1,3-dione
CID 8566135
1-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]tetrazole
CID 18079355

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine (CID 16764721) is 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine is c1ccc(COc2ccc(-n3cnnn3)cc2)nc1.
What is the InChIKey of 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine?
The InChIKey is UJPPASFLWYYDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-2-8-14-11(3-1)9-19-13-6-4-12(5-7-13)18-10-15-16-17-18/h1-8,10H,9H2.
What are the key properties of 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine?
2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine has a molecular weight of 253.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tetrazol-1-yl)phenoxy]methyl]pyridine is sourced from PubChem (CID 16764721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).